3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine

C134H140N16O7S — CID 159992987

IUPAC3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine
SMILESCCCCOc1ccc(-c2ccc(N)c3ccccc23)cn1.COCCCN(C)c1ccc(-c2ccc(N)c3ccccc23)cn1.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(-c2ccc(CN3CCOCC3)o2)c2ccccc12.Nc1ccc(-c2ccc(NC3CCSCC3)nc2)c2ccccc12.Nc1ccc(-c2cccc(N3CCOCC3)c2)c2ccccc12.Nc1ccc(C2=CC(=O)CCC2)c2ccccc12
InChIInChI=1S/C20H21N3O.C20H23N3O.C20H21N3S.C20H20N2O.C19H20N2O2.C19H20N2O.C16H15NO/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-23(12-5-13-24-2)20-11-8-15(14-22-20)16-9-10-19(21)18-7-4-3-6-17(16)18;21-19-7-6-16(17-3-1-2-4-18(17)19)14-5-8-20(22-13-14)23-15-9-11-24-12-10-15;21-20-9-8-17(18-6-1-2-7-19(18)20)15-4-3-5-16(14-15)22-10-12-23-13-11-22;20-18-7-6-17(15-3-1-2-4-16(15)18)19-8-5-14(23-19)13-21-9-11-22-12-10-21;1-2-3-12-22-19-11-8-14(13-21-19)15-9-10-18(20)17-7-5-4-6-16(15)17;17-16-9-8-13(11-4-3-5-12(18)10-11)14-6-1-2-7-15(14)16/h1-8,13H,9-12,14,21H2;3-4,6-11,14H,5,12-13,21H2,1-2H3;1-8,13,15H,9-12,21H2,(H,22,23);1-9,14H,10-13,21H2;1-8H,9-13,20H2;4-11,13H,2-3,12,20H2,1H3;1-2,6-10H,3-5,17H2
InChIKeyOHELNEVSURKPIJ-UHFFFAOYSA-N
MW2118.77 g/mol
LogP27.73
Rot. Bonds23

About 3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine

3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine (PubChem CID 159992987) has the molecular formula C134H140N16O7S and a molecular weight of 2118.77 g/mol. Its IUPAC name is 3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine
PubChem CID159992987
Molecular FormulaC134H140N16O7S
Molecular Weight2118.77 g/mol
Exact Mass2117.08
IUPAC Name3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine
SMILESCCCCOc1ccc(-c2ccc(N)c3ccccc23)cn1.COCCCN(C)c1ccc(-c2ccc(N)c3ccccc23)cn1.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(-c2ccc(CN3CCOCC3)o2)c2ccccc12.Nc1ccc(-c2ccc(NC3CCSCC3)nc2)c2ccccc12.Nc1ccc(-c2cccc(N3CCOCC3)c2)c2ccccc12.Nc1ccc(C2=CC(=O)CCC2)c2ccccc12
InChIInChI=1S/C20H21N3O.C20H23N3O.C20H21N3S.C20H20N2O.C19H20N2O2.C19H20N2O.C16H15NO/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-23(12-5-13-24-2)20-11-8-15(14-22-20)16-9-10-19(21)18-7-4-3-6-17(16)18;21-19-7-6-16(17-3-1-2-4-18(17)19)14-5-8-20(22-13-14)23-15-9-11-24-12-10-15;21-20-9-8-17(18-6-1-2-7-19(18)20)15-4-3-5-16(14-15)22-10-12-23-13-11-22;20-18-7-6-17(15-3-1-2-4-16(15)18)19-8-5-14(23-19)13-21-9-11-22-12-10-21;1-2-3-12-22-19-11-8-14(13-21-19)15-9-10-18(20)17-7-5-4-6-16(15)17;17-16-9-8-13(11-4-3-5-12(18)10-11)14-6-1-2-7-15(14)16/h1-8,13H,9-12,14,21H2;3-4,6-11,14H,5,12-13,21H2,1-2H3;1-8,13,15H,9-12,21H2,(H,22,23);1-9,14H,10-13,21H2;1-8H,9-13,20H2;4-11,13H,2-3,12,20H2,1H3;1-2,6-10H,3-5,17H2
InChIKeyOHELNEVSURKPIJ-UHFFFAOYSA-N
XLogP27.73
TPSA335.05 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002118.77
LogP ≤ 527.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine?
The IUPAC name of 3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine (CID 159992987) is 3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for 3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine?
The canonical SMILES for 3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine is CCCCOc1ccc(-c2ccc(N)c3ccccc23)cn1.COCCCN(C)c1ccc(-c2ccc(N)c3ccccc23)cn1.Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12.Nc1ccc(-c2ccc(CN3CCOCC3)o2)c2ccccc12.Nc1ccc(-c2ccc(NC3CCSCC3)nc2)c2ccccc12.Nc1ccc(-c2cccc(N3CCOCC3)c2)c2ccccc12.Nc1ccc(C2=CC(=O)CCC2)c2ccccc12.
What is the InChIKey of 3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine?
The InChIKey is OHELNEVSURKPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.C20H23N3O.C20H21N3S.C20H20N2O.C19H20N2O2.C19H20N2O.C16H15NO/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23;1-23(12-5-13-24-2)20-11-8-15(14-22-20)16-9-10-19(21)18-7-4-3-6-17(16)18;21-19-7-6-16(17-3-1-2-4-18(17)19)14-5-8-20(22-13-14)23-15-9-11-24-12-10-15;21-20-9-8-17(18-6-1-2-7-19(18)20)15-4-3-5-16(14-15)22-10-12-23-13-11-22;20-18-7-6-17(15-3-1-2-4-16(15)18)19-8-5-14(23-19)13-21-9-11-22-12-10-21;1-2-3-12-22-19-11-8-14(13-21-19)15-9-10-18(20)17-7-5-4-6-16(15)17;17-16-9-8-13(11-4-3-5-12(18)10-11)14-6-1-2-7-15(14)16/h1-8,13H,9-12,14,21H2;3-4,6-11,14H,5,12-13,21H2,1-2H3;1-8,13,15H,9-12,21H2,(H,22,23);1-9,14H,10-13,21H2;1-8H,9-13,20H2;4-11,13H,2-3,12,20H2,1H3;1-2,6-10H,3-5,17H2.
What are the key properties of 3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine?
3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine has a molecular weight of 2118.77 g/mol, XLogP of 27.73, 23 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminonaphthalen-1-yl)cyclohex-2-en-1-one;5-(4-aminonaphthalen-1-yl)-N-(3-methoxypropyl)-N-methylpyridin-2-amine;5-(4-aminonaphthalen-1-yl)-N-(thian-4-yl)pyridin-2-amine;4-(6-butoxy-3-pyridinyl)naphthalen-1-amine;4-[5-(morpholin-4-ylmethyl)furan-2-yl]naphthalen-1-amine;4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine;4-(3-morpholin-4-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 159992987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).