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

C18H28N2 — CID 105348426

IUPAC2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(CN2CC=CCC2)cc1
InChIInChI=1S/C18H28N2/c1-3-11-19-14-16(2)18-9-7-17(8-10-18)15-20-12-5-4-6-13-20/h4-5,7-10,16,19H,3,6,11-15H2,1-2H3
InChIKeyNLHUFGDRVDHNDH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.55
Rot. Bonds7

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

2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine (PubChem CID 105348426) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine
PubChem CID105348426
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(CN2CC=CCC2)cc1
InChIInChI=1S/C18H28N2/c1-3-11-19-14-16(2)18-9-7-17(8-10-18)15-20-12-5-4-6-13-20/h4-5,7-10,16,19H,3,6,11-15H2,1-2H3
InChIKeyNLHUFGDRVDHNDH-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-N-propylpropan-1-amine
CID 106316650
N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
CID 105347096
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]-N-ethylpropan-1-amine
CID 105348050
N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346333
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 105346444
3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
CID 114412953
N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347715
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347946

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine (CID 105348426) is 2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine is CCCNCC(C)c1ccc(CN2CC=CCC2)cc1.
What is the InChIKey of 2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is NLHUFGDRVDHNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-11-19-14-16(2)18-9-7-17(8-10-18)15-20-12-5-4-6-13-20/h4-5,7-10,16,19H,3,6,11-15H2,1-2H3.
What are the key properties of 2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine?
2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 105348426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).