1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine

C18H28N2 — CID 106314771

IUPAC1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(N2CCC=C(C)C2)cc1
InChIInChI=1S/C18H28N2/c1-4-12-19-18(5-2)16-8-10-17(11-9-16)20-13-6-7-15(3)14-20/h7-11,18-19H,4-6,12-14H2,1-3H3
InChIKeyNUGIKOMNFNSTCV-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.29
Rot. Bonds6

About 1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine

1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine (PubChem CID 106314771) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine
PubChem CID106314771
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(N2CCC=C(C)C2)cc1
InChIInChI=1S/C18H28N2/c1-4-12-19-18(5-2)16-8-10-17(11-9-16)20-13-6-7-15(3)14-20/h7-11,18-19H,4-6,12-14H2,1-3H3
InChIKeyNUGIKOMNFNSTCV-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 106314690
N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 106314718
N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine
CID 106314747
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine
CID 63976027
N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine
CID 43585360
1-[4-(2,5-dimethylphenyl)phenyl]-N-propylpropan-1-amine
CID 63424403
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939163
N-[1-[4-(4,4-dimethylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 62936571
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 114879199

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine (CID 106314771) is 1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(N2CCC=C(C)C2)cc1.
What is the InChIKey of 1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine?
The InChIKey is NUGIKOMNFNSTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-12-19-18(5-2)16-8-10-17(11-9-16)20-13-6-7-15(3)14-20/h7-11,18-19H,4-6,12-14H2,1-3H3.
What are the key properties of 1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine?
1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 106314771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).