2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C18H24N2O — CID 81171726

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESNCC1(CC(=O)N2CC=C(c3ccccc3)CC2)CCC1
InChIInChI=1S/C18H24N2O/c19-14-18(9-4-10-18)13-17(21)20-11-7-16(8-12-20)15-5-2-1-3-6-15/h1-3,5-7H,4,8-14,19H2
InChIKeyDIEPCIQYSSBTDU-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.82
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 81171726) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID81171726
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESNCC1(CC(=O)N2CC=C(c3ccccc3)CC2)CCC1
InChIInChI=1S/C18H24N2O/c19-14-18(9-4-10-18)13-17(21)20-11-7-16(8-12-20)15-5-2-1-3-6-15/h1-3,5-7H,4,8-14,19H2
InChIKeyDIEPCIQYSSBTDU-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 64685858
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] acetate
CID 140988563
2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 78912525
2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182
3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-2-en-1-one
CID 122176819
(1R,2R,6S,7R)-4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98151273
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,6-difluorobenzoate
CID 9203305
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 9201424
2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]naphthalene-1-carbaldehyde
CID 9009861
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 9017616
4-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23994369
2-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8597094

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 81171726) is 2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is NCC1(CC(=O)N2CC=C(c3ccccc3)CC2)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is DIEPCIQYSSBTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-14-18(9-4-10-18)13-17(21)20-11-7-16(8-12-20)15-5-2-1-3-6-15/h1-3,5-7H,4,8-14,19H2.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 81171726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).