N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine

C97H115Cl2N13OS2 — CID 157408737

IUPACN-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
SMILESC.Clc1cc2c(cc1Cl)N/C(=N\Cc1cccs1)C1(CCCCC1)C2.Cn1cc2c(n1)N/C(=N\Cc1ccccc1)C1(CCCCC1)C2.c1ccc(C/N=C2\Nc3ccccc3CC23CCCCC3)cc1.c1ccc2c(c1)CC1(CCCCC1)/C(=N/Cc1cncs1)N2.c1coc(C/N=C2\Nc3ccccc3CC23CCCCC3)c1
InChIInChI=1S/C21H24N2.C19H20Cl2N2S.C19H24N4.C19H22N2O.C18H21N3S.CH4/c1-3-9-17(10-4-1)16-22-20-21(13-7-2-8-14-21)15-18-11-5-6-12-19(18)23-20;20-15-9-13-11-19(6-2-1-3-7-19)18(23-17(13)10-16(15)21)22-12-14-5-4-8-24-14;1-23-14-16-12-19(10-6-3-7-11-19)18(21-17(16)22-23)20-13-15-8-4-2-5-9-15;1-4-10-19(11-5-1)13-15-7-2-3-9-17(15)21-18(19)20-14-16-8-6-12-22-16;1-4-8-18(9-5-1)10-14-6-2-3-7-16(14)21-17(18)20-12-15-11-19-13-22-15;/h1,3-6,9-12H,2,7-8,13-16H2,(H,22,23);4-5,8-10H,1-3,6-7,11-12H2,(H,22,23);2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,20,21,22);2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,20,21);2-3,6-7,11,13H,1,4-5,8-10,12H2,(H,20,21);1H4
InChIKeyBOAMBRJZNHWHAR-UHFFFAOYSA-N
MW1614.12 g/mol
LogP25.81
Rot. Bonds10

About N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine

N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine (PubChem CID 157408737) has the molecular formula C97H115Cl2N13OS2 and a molecular weight of 1614.12 g/mol. Its IUPAC name is N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine.

Molecular Properties

Compound NameN-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
PubChem CID157408737
Molecular FormulaC97H115Cl2N13OS2
Molecular Weight1614.12 g/mol
Exact Mass1611.82
IUPAC NameN-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
SMILESC.Clc1cc2c(cc1Cl)N/C(=N\Cc1cccs1)C1(CCCCC1)C2.Cn1cc2c(n1)N/C(=N\Cc1ccccc1)C1(CCCCC1)C2.c1ccc(C/N=C2\Nc3ccccc3CC23CCCCC3)cc1.c1ccc2c(c1)CC1(CCCCC1)/C(=N/Cc1cncs1)N2.c1coc(C/N=C2\Nc3ccccc3CC23CCCCC3)c1
InChIInChI=1S/C21H24N2.C19H20Cl2N2S.C19H24N4.C19H22N2O.C18H21N3S.CH4/c1-3-9-17(10-4-1)16-22-20-21(13-7-2-8-14-21)15-18-11-5-6-12-19(18)23-20;20-15-9-13-11-19(6-2-1-3-7-19)18(23-17(13)10-16(15)21)22-12-14-5-4-8-24-14;1-23-14-16-12-19(10-6-3-7-11-19)18(21-17(16)22-23)20-13-15-8-4-2-5-9-15;1-4-10-19(11-5-1)13-15-7-2-3-9-17(15)21-18(19)20-14-16-8-6-12-22-16;1-4-8-18(9-5-1)10-14-6-2-3-7-16(14)21-17(18)20-12-15-11-19-13-22-15;/h1,3-6,9-12H,2,7-8,13-16H2,(H,22,23);4-5,8-10H,1-3,6-7,11-12H2,(H,22,23);2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,20,21,22);2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,20,21);2-3,6-7,11,13H,1,4-5,8-10,12H2,(H,20,21);1H4
InChIKeyBOAMBRJZNHWHAR-UHFFFAOYSA-N
XLogP25.81
TPSA165.80 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001614.12
LogP ≤ 525.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The IUPAC name of N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine (CID 157408737) is N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine.
What is the SMILES notation for N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The canonical SMILES for N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine is C.Clc1cc2c(cc1Cl)N/C(=N\Cc1cccs1)C1(CCCCC1)C2.Cn1cc2c(n1)N/C(=N\Cc1ccccc1)C1(CCCCC1)C2.c1ccc(C/N=C2\Nc3ccccc3CC23CCCCC3)cc1.c1ccc2c(c1)CC1(CCCCC1)/C(=N/Cc1cncs1)N2.c1coc(C/N=C2\Nc3ccccc3CC23CCCCC3)c1.
What is the InChIKey of N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
The InChIKey is BOAMBRJZNHWHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2.C19H20Cl2N2S.C19H24N4.C19H22N2O.C18H21N3S.CH4/c1-3-9-17(10-4-1)16-22-20-21(13-7-2-8-14-21)15-18-11-5-6-12-19(18)23-20;20-15-9-13-11-19(6-2-1-3-7-19)18(23-17(13)10-16(15)21)22-12-14-5-4-8-24-14;1-23-14-16-12-19(10-6-3-7-11-19)18(21-17(16)22-23)20-13-15-8-4-2-5-9-15;1-4-10-19(11-5-1)13-15-7-2-3-9-17(15)21-18(19)20-14-16-8-6-12-22-16;1-4-8-18(9-5-1)10-14-6-2-3-7-16(14)21-17(18)20-12-15-11-19-13-22-15;/h1,3-6,9-12H,2,7-8,13-16H2,(H,22,23);4-5,8-10H,1-3,6-7,11-12H2,(H,22,23);2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,20,21,22);2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,20,21);2-3,6-7,11,13H,1,4-5,8-10,12H2,(H,20,21);1H4.
What are the key properties of N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine?
N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine has a molecular weight of 1614.12 g/mol, XLogP of 25.81, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylspiro[4,7-dihydropyrazolo[3,4-b]pyridine-5,1'-cyclohexane]-6-imine;N-benzylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;6,7-dichloro-N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;N-(furan-2-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine;methane;N-(1,3-thiazol-5-ylmethyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine is sourced from PubChem (CID 157408737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).