4-amino-1-(3-ethylcyclohexyl)pentan-1-one

C13H25NO — CID 116571562

IUPAC4-amino-1-(3-ethylcyclohexyl)pentan-1-one
SMILESCCC1CCCC(C(=O)CCC(C)N)C1
InChIInChI=1S/C13H25NO/c1-3-11-5-4-6-12(9-11)13(15)8-7-10(2)14/h10-12H,3-9,14H2,1-2H3
InChIKeyHHAVWBPAXXMSAC-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.90
Rot. Bonds5

About 4-amino-1-(3-ethylcyclohexyl)pentan-1-one

4-amino-1-(3-ethylcyclohexyl)pentan-1-one (PubChem CID 116571562) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-amino-1-(3-ethylcyclohexyl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-ethylcyclohexyl)pentan-1-one
PubChem CID116571562
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-amino-1-(3-ethylcyclohexyl)pentan-1-one
SMILESCCC1CCCC(C(=O)CCC(C)N)C1
InChIInChI=1S/C13H25NO/c1-3-11-5-4-6-12(9-11)13(15)8-7-10(2)14/h10-12H,3-9,14H2,1-2H3
InChIKeyHHAVWBPAXXMSAC-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
1-(3-ethylcyclohexyl)decan-1-one
CID 65401916
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
(3-ethylcyclohexyl) 5-aminohexanoate
CID 82847639
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
1-(3-ethylcyclopentyl)butan-1-one
CID 65407371
2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone
CID 103543718
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180
4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 116916278
2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one
CID 116606831
2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-ethylcyclohexyl)pentan-1-one?
The IUPAC name of 4-amino-1-(3-ethylcyclohexyl)pentan-1-one (CID 116571562) is 4-amino-1-(3-ethylcyclohexyl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(3-ethylcyclohexyl)pentan-1-one?
The canonical SMILES for 4-amino-1-(3-ethylcyclohexyl)pentan-1-one is CCC1CCCC(C(=O)CCC(C)N)C1.
What is the InChIKey of 4-amino-1-(3-ethylcyclohexyl)pentan-1-one?
The InChIKey is HHAVWBPAXXMSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-11-5-4-6-12(9-11)13(15)8-7-10(2)14/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 4-amino-1-(3-ethylcyclohexyl)pentan-1-one?
4-amino-1-(3-ethylcyclohexyl)pentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-ethylcyclohexyl)pentan-1-one is sourced from PubChem (CID 116571562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).