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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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).