1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine

C16H24N2 — CID 117205735

IUPAC1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-14(17-2)12-15-8-10-18(11-9-15)13-16-6-4-3-5-7-16/h3-8,14,17H,9-13H2,1-2H3
InChIKeyQICYTPBOSQKHLR-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.82
Rot. Bonds5

About 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine

1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine (PubChem CID 117205735) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine
PubChem CID117205735
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-14(17-2)12-15-8-10-18(11-9-15)13-16-6-4-3-5-7-16/h3-8,14,17H,9-13H2,1-2H3
InChIKeyQICYTPBOSQKHLR-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine;2-chloropropane;dihydrochloride
CID 75485433
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
CID 143581792
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 19900296
ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
N-methyl-1-phenylpropan-2-amine
CID 118309477
1-benzyl-4-[(2-bromo-3,4-dimethylphenoxy)methyl]-3,6-dihydro-2H-pyridine
CID 177120343
1-benzyl-4-[(6-bromo-2-fluoro-3-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine
CID 164933785
1-benzyl-4-[(2-bromo-5-methoxyphenoxy)methyl]-3,6-dihydro-2H-pyridine
CID 66652851
1-[5-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866988
dimethyl 3-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methoxy]-4-bromobenzene-1,2-dicarboxylate
CID 169103687
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 22499416

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine (CID 117205735) is 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine is CNC(C)CC1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine?
The InChIKey is QICYTPBOSQKHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-14(17-2)12-15-8-10-18(11-9-15)13-16-6-4-3-5-7-16/h3-8,14,17H,9-13H2,1-2H3.
What are the key properties of 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine?
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117205735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).