[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone

C15H27NO — CID 116600979

IUPAC[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2(CN)CCCC2)CC1
InChIInChI=1S/C15H27NO/c1-2-12-5-7-13(8-6-12)14(17)15(11-16)9-3-4-10-15/h12-13H,2-11,16H2,1H3
InChIKeySUBZPYQFYZGTKV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.29
Rot. Bonds4

About [1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone

[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone (PubChem CID 116600979) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone
PubChem CID116600979
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)C2(CN)CCCC2)CC1
InChIInChI=1S/C15H27NO/c1-2-12-5-7-13(8-6-12)14(17)15(11-16)9-3-4-10-15/h12-13H,2-11,16H2,1H3
InChIKeySUBZPYQFYZGTKV-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclobutyl]-cyclopentylmethanone
CID 116600201
[1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone
CID 116601132
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylcyclobutane-1-carboxamide
CID 80588442
1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810
2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone
CID 116578763
1-[1-(aminomethyl)cyclopentyl]-2-cyclopropylethanone
CID 116601042
[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone
CID 116602976
(4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570043
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide
CID 63956979
1-[1-(aminomethyl)cyclobutyl]propan-1-one
CID 116600219
2-aminoacetic acid;ethylcyclopropane
CID 144543522
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone (CID 116600979) is [1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)C2(CN)CCCC2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone?
The InChIKey is SUBZPYQFYZGTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-12-5-7-13(8-6-12)14(17)15(11-16)9-3-4-10-15/h12-13H,2-11,16H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone?
[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone has a molecular weight of 237.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 116600979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).