4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one

C15H29N3O — CID 66430485

IUPAC4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESCC1CCCCCN1C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C15H29N3O/c1-13-7-3-2-4-10-18(13)14(12-16)11-15(19)17-8-5-6-9-17/h13-14H,2-12,16H2,1H3
InChIKeyVEJMLZWUCHAISD-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.59
Rot. Bonds4

About 4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one

4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 66430485) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one
PubChem CID66430485
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESCC1CCCCCN1C(CN)CC(=O)N1CCCC1
InChIInChI=1S/C15H29N3O/c1-13-7-3-2-4-10-18(13)14(12-16)11-15(19)17-8-5-6-9-17/h13-14H,2-12,16H2,1H3
InChIKeyVEJMLZWUCHAISD-UHFFFAOYSA-N
XLogP1.59
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 66430499
4-amino-3-(2-methylpiperidin-1-yl)butanamide
CID 66426676
4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
CID 66430100
4-amino-3-(2-methylpyrrolidin-1-yl)butanamide
CID 66428386
4-amino-3-(2,5-dimethylmorpholin-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66432542
3-amino-2-(2-methylazepan-1-yl)propanoic acid
CID 64693147
4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 104958068
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-1-pyrrolidin-1-ylbutan-1-one
CID 115559409
4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 102965004
2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 60973442
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66431730
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430294

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one (CID 66430485) is 4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one is CC1CCCCCN1C(CN)CC(=O)N1CCCC1.
What is the InChIKey of 4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is VEJMLZWUCHAISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13-7-3-2-4-10-18(13)14(12-16)11-15(19)17-8-5-6-9-17/h13-14H,2-12,16H2,1H3.
What are the key properties of 4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 66430485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).