2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone

C16H30N2O — CID 104689647

IUPAC2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
SMILESCCC1CCCCCN1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C16H30N2O/c1-2-14-9-5-3-8-12-18(14)15(19)13-16(17)10-6-4-7-11-16/h14H,2-13,17H2,1H3
InChIKeyCYZCYSPOVOAHKM-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.22
Rot. Bonds3

About 2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone

2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone (PubChem CID 104689647) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
PubChem CID104689647
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
SMILESCCC1CCCCCN1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C16H30N2O/c1-2-14-9-5-3-8-12-18(14)15(19)13-16(17)10-6-4-7-11-16/h14H,2-13,17H2,1H3
InChIKeyCYZCYSPOVOAHKM-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 64678965
2-(1-aminocyclopentyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 64684748
2-[1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655382
2-(1-aminocyclohexyl)-1-(3-ethylmorpholin-4-yl)ethanone
CID 64684792
2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone
CID 79854226
1-(2-ethylpyrrolidin-1-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 65242450
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-(1-aminocyclobutyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 79854828
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone (CID 104689647) is 2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone is CCC1CCCCCN1C(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone?
The InChIKey is CYZCYSPOVOAHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-14-9-5-3-8-12-18(14)15(19)13-16(17)10-6-4-7-11-16/h14H,2-13,17H2,1H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone?
2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone has a molecular weight of 266.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone is sourced from PubChem (CID 104689647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).