5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one

C14H27NO — CID 61449187

IUPAC5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
SMILESCCC1CCC(N(C)CCCC(C)=O)CC1
InChIInChI=1S/C14H27NO/c1-4-13-7-9-14(10-8-13)15(3)11-5-6-12(2)16/h13-14H,4-11H2,1-3H3
InChIKeyWENHFCVTINNXIL-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds6

About 5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one

5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one (PubChem CID 61449187) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one.

Molecular Properties

Compound Name5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
PubChem CID61449187
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
SMILESCCC1CCC(N(C)CCCC(C)=O)CC1
InChIInChI=1S/C14H27NO/c1-4-13-7-9-14(10-8-13)15(3)11-5-6-12(2)16/h13-14H,4-11H2,1-3H3
InChIKeyWENHFCVTINNXIL-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide
CID 54967192
3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980779
N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
CID 61449335
3-[(4-ethylcyclohexyl)-methylamino]propanethioamide
CID 61450716
3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
CID 61450909
4-ethyl-N-methyl-N-(3-piperidin-2-ylpropyl)cyclohexan-1-amine
CID 55047790
3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
CID 61448961
4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide
CID 79120771
methyl 4-[(4-aminocyclohexyl)-methylamino]butanoate;dihydrochloride
CID 70135287
N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412330

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one?
The IUPAC name of 5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one (CID 61449187) is 5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one.
What is the SMILES notation for 5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one?
The canonical SMILES for 5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one is CCC1CCC(N(C)CCCC(C)=O)CC1.
What is the InChIKey of 5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one?
The InChIKey is WENHFCVTINNXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-13-7-9-14(10-8-13)15(3)11-5-6-12(2)16/h13-14H,4-11H2,1-3H3.
What are the key properties of 5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one?
5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one has a molecular weight of 225.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one is sourced from PubChem (CID 61449187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).