4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine

C18H26N2 — CID 156889538

IUPAC4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine
SMILESCc1ccc(C(CCCN(C)C)C2=NCCC=C2)cc1
InChIInChI=1S/C18H26N2/c1-15-9-11-16(12-10-15)17(7-6-14-20(2)3)18-8-4-5-13-19-18/h4,8-12,17H,5-7,13-14H2,1-3H3
InChIKeyLWDHCEJRXAOQLH-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.82
Rot. Bonds6

About 4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine

4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine (PubChem CID 156889538) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine
PubChem CID156889538
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine
SMILESCc1ccc(C(CCCN(C)C)C2=NCCC=C2)cc1
InChIInChI=1S/C18H26N2/c1-15-9-11-16(12-10-15)17(7-6-14-20(2)3)18-8-4-5-13-19-18/h4,8-12,17H,5-7,13-14H2,1-3H3
InChIKeyLWDHCEJRXAOQLH-UHFFFAOYSA-N
XLogP3.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine?
The IUPAC name of 4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine (CID 156889538) is 4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for 4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine?
The canonical SMILES for 4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine is Cc1ccc(C(CCCN(C)C)C2=NCCC=C2)cc1.
What is the InChIKey of 4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine?
The InChIKey is LWDHCEJRXAOQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-15-9-11-16(12-10-15)17(7-6-14-20(2)3)18-8-4-5-13-19-18/h4,8-12,17H,5-7,13-14H2,1-3H3.
What are the key properties of 4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine?
4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyridin-6-yl)-N,N-dimethyl-4-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 156889538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).