3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol

C13H25NO — CID 80562979

IUPAC3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol
SMILESCCC1CCCC(C2(O)CCC(N)C2)C1
InChIInChI=1S/C13H25NO/c1-2-10-4-3-5-11(8-10)13(15)7-6-12(14)9-13/h10-12,15H,2-9,14H2,1H3
InChIKeySSEXTVYTKBEBJG-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.45
Rot. Bonds2

About 3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol

3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol (PubChem CID 80562979) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol
PubChem CID80562979
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol
SMILESCCC1CCCC(C2(O)CCC(N)C2)C1
InChIInChI=1S/C13H25NO/c1-2-10-4-3-5-11(8-10)13(15)7-6-12(14)9-13/h10-12,15H,2-9,14H2,1H3
InChIKeySSEXTVYTKBEBJG-UHFFFAOYSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol
CID 79949699
1-(3-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64733394
1-cycloheptyl-4-ethylcycloheptan-1-ol
CID 82929121
1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid
CID 79425993
3-(3-ethylcyclohexyl)-4,4-dimethylthian-3-ol
CID 79956343
ethane;3-ethylcyclohexan-1-amine
CID 164855900
1-(3-ethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429223
4-ethyl-1-(4-ethylcyclohexyl)cycloheptan-1-ol
CID 65085835
1-(3-ethylcyclohexyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425098
cis-(1S,3S)-3-amino-1-ethylcyclohexan-1-ol
CID 97052724
ethylcyclobutane;methanamine
CID 175532329
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol?
The IUPAC name of 3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol (CID 80562979) is 3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol is CCC1CCCC(C2(O)CCC(N)C2)C1.
What is the InChIKey of 3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol?
The InChIKey is SSEXTVYTKBEBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-10-4-3-5-11(8-10)13(15)7-6-12(14)9-13/h10-12,15H,2-9,14H2,1H3.
What are the key properties of 3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol?
3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol is sourced from PubChem (CID 80562979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).