2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one

C17H32N2O — CID 106593069

IUPAC2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one
SMILESCCC1CCCCCN1C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C17H32N2O/c1-3-16-10-5-4-6-11-19(16)17(20)13(2)14-8-7-9-15(18)12-14/h13-16H,3-12,18H2,1-2H3
InChIKeyCMHKEWYXNNCRMG-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.32
Rot. Bonds3

About 2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one

2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one (PubChem CID 106593069) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one
PubChem CID106593069
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one
SMILESCCC1CCCCCN1C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C17H32N2O/c1-3-16-10-5-4-6-11-19(16)17(20)13(2)14-8-7-9-15(18)12-14/h13-16H,3-12,18H2,1-2H3
InChIKeyCMHKEWYXNNCRMG-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
CID 106593039
2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 106593089
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570
1-(2-ethylazepan-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107034891
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803
2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 106592824
1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide
CID 106592610
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81482767

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one?
The IUPAC name of 2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one (CID 106593069) is 2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one?
The canonical SMILES for 2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one is CCC1CCCCCN1C(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one?
The InChIKey is CMHKEWYXNNCRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-16-10-5-4-6-11-19(16)17(20)13(2)14-8-7-9-15(18)12-14/h13-16H,3-12,18H2,1-2H3.
What are the key properties of 2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one?
2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one is sourced from PubChem (CID 106593069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).