3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one

C14H25NO — CID 116608822

IUPAC3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one
SMILESCCC1CCC(C(=O)CC(N)C2CC2)CC1
InChIInChI=1S/C14H25NO/c1-2-10-3-5-12(6-4-10)14(16)9-13(15)11-7-8-11/h10-13H,2-9,15H2,1H3
InChIKeyGSLWCCLAXBTQST-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one

3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one (PubChem CID 116608822) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one
PubChem CID116608822
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one
SMILESCCC1CCC(C(=O)CC(N)C2CC2)CC1
InChIInChI=1S/C14H25NO/c1-2-10-3-5-12(6-4-10)14(16)9-13(15)11-7-8-11/h10-13H,2-9,15H2,1H3
InChIKeyGSLWCCLAXBTQST-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1,3-dicyclopropylpropan-1-one
CID 116608894
1-(4-ethylcyclohexyl)-3-methylbutan-1-one
CID 64773765
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
1-(3-ethylcyclopentyl)-3-methylidenepentan-1-amine
CID 66037578
2-cyclohexyl-1-(4-ethylcyclohexyl)ethanamine
CID 65394351
1-(4-ethylcyclohexyl)-2-methylsulfanylethanone
CID 64775004
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one
CID 65424663
ethoxycarbonyl 3-amino-3-cyclopropylpropanoate
CID 174865263
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
4-ethylcyclohexane-1-carbothioamide
CID 64749084

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one (CID 116608822) is 3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one is CCC1CCC(C(=O)CC(N)C2CC2)CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one?
The InChIKey is GSLWCCLAXBTQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-10-3-5-12(6-4-10)14(16)9-13(15)11-7-8-11/h10-13H,2-9,15H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one?
3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one has a molecular weight of 223.36 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 3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one is sourced from PubChem (CID 116608822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).