[3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone

C17H32N2O — CID 104692568

IUPAC[3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)C1CCCC(CCN)C1
InChIInChI=1S/C17H32N2O/c1-2-16-9-4-3-5-12-19(16)17(20)15-8-6-7-14(13-15)10-11-18/h14-16H,2-13,18H2,1H3
InChIKeyZFNFBHIRVLXXFL-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.32
Rot. Bonds4

About [3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone

[3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone (PubChem CID 104692568) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is [3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone
PubChem CID104692568
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name[3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone
SMILESCCC1CCCCCN1C(=O)C1CCCC(CCN)C1
InChIInChI=1S/C17H32N2O/c1-2-16-9-4-3-5-12-19(16)17(20)15-8-6-7-14(13-15)10-11-18/h14-16H,2-13,18H2,1H3
InChIKeyZFNFBHIRVLXXFL-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
1-[3-(2-aminoethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxamide
CID 62806919
[3-(2-aminoethyl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55115174
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035
[3-(2-aminoethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161750
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 134002906
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone (CID 104692568) is [3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone is CCC1CCCCCN1C(=O)C1CCCC(CCN)C1.
What is the InChIKey of [3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone?
The InChIKey is ZFNFBHIRVLXXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-16-9-4-3-5-12-19(16)17(20)15-8-6-7-14(13-15)10-11-18/h14-16H,2-13,18H2,1H3.
What are the key properties of [3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone?
[3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone has a molecular weight of 280.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone is sourced from PubChem (CID 104692568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).