(1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone

C16H30N2O — CID 104689695

IUPAC(1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C16H30N2O/c1-3-14-9-5-4-6-11-18(14)15(19)16(17)10-7-8-13(2)12-16/h13-14H,3-12,17H2,1-2H3
InChIKeyNKSMUYNNVXPDGO-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.08
Rot. Bonds2

About (1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone

(1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone (PubChem CID 104689695) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone
PubChem CID104689695
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C16H30N2O/c1-3-14-9-5-4-6-11-18(14)15(19)16(17)10-7-8-13(2)12-16/h13-14H,3-12,17H2,1-2H3
InChIKeyNKSMUYNNVXPDGO-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-amino-3-methylcyclohexyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 64548999
(3-aminooxolan-3-yl)-(2-ethylazepan-1-yl)methanone
CID 104689740
(1-amino-3-methylcyclohexyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 64550855
methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate
CID 64551881
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
CID 64550431
2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
CID 104689647
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 108972390
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone (CID 104689695) is (1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone is CCC1CCCCCN1C(=O)C1(N)CCCC(C)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone?
The InChIKey is NKSMUYNNVXPDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-14-9-5-4-6-11-18(14)15(19)16(17)10-7-8-13(2)12-16/h13-14H,3-12,17H2,1-2H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone?
(1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone has a molecular weight of 266.43 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone is sourced from PubChem (CID 104689695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).