2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone

C14H26N2O — CID 65280938

IUPAC2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone
SMILESCC1(C)CCCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C14H26N2O/c1-14(2)6-3-8-16(9-7-14)13(17)11-15-10-12-4-5-12/h12,15H,3-11H2,1-2H3
InChIKeyFCGLEEFEDRQWDM-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds4

About 2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone

2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone (PubChem CID 65280938) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone
PubChem CID65280938
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone
SMILESCC1(C)CCCN(C(=O)CNCC2CC2)CC1
InChIInChI=1S/C14H26N2O/c1-14(2)6-3-8-16(9-7-14)13(17)11-15-10-12-4-5-12/h12,15H,3-11H2,1-2H3
InChIKeyFCGLEEFEDRQWDM-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123918
2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163435
1-(azepan-1-yl)-2-[(4-hydroxycyclohexyl)methylamino]ethanone
CID 106133822
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
2-(cyclopropylmethylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119765768
2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969
2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
2-(cyclopropylmethylamino)-1-(1,4-oxazepan-4-yl)ethanone;hydrochloride
CID 119734607
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone (CID 65280938) is 2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone is CC1(C)CCCN(C(=O)CNCC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone?
The InChIKey is FCGLEEFEDRQWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2)6-3-8-16(9-7-14)13(17)11-15-10-12-4-5-12/h12,15H,3-11H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone?
2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone has a molecular weight of 238.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone is sourced from PubChem (CID 65280938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).