3-amino-2-(4-ethylcyclohexyl)propan-1-ol

C11H23NO — CID 165446079

IUPAC3-amino-2-(4-ethylcyclohexyl)propan-1-ol
SMILESCCC1CCC(C(CN)CO)CC1
InChIInChI=1S/C11H23NO/c1-2-9-3-5-10(6-4-9)11(7-12)8-13/h9-11,13H,2-8,12H2,1H3
InChIKeyAWVKMHFXELAFRY-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.77
Rot. Bonds4

About 3-amino-2-(4-ethylcyclohexyl)propan-1-ol

3-amino-2-(4-ethylcyclohexyl)propan-1-ol (PubChem CID 165446079) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-amino-2-(4-ethylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-ethylcyclohexyl)propan-1-ol
PubChem CID165446079
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-amino-2-(4-ethylcyclohexyl)propan-1-ol
SMILESCCC1CCC(C(CN)CO)CC1
InChIInChI=1S/C11H23NO/c1-2-9-3-5-10(6-4-9)11(7-12)8-13/h9-11,13H,2-8,12H2,1H3
InChIKeyAWVKMHFXELAFRY-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethanamine;ethylcyclopropane
CID 70018487
2-(aminomethyl)-1-(4-ethylcyclohexyl)-3-methylbutan-1-ol
CID 107443281
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622
2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
CID 112743634
1-ethyl-4-(5-methylhexan-3-yl)cyclohexane
CID 123334269
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol
CID 79566774
1-(4-ethylcyclohexyl)-3-methylbut-2-en-1-amine
CID 79178186
(2S)-2-cyclooctylbutan-1-ol
CID 122210665
2-aminoacetic acid;ethylcyclopropane
CID 144543522
1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 64748582

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-ethylcyclohexyl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-ethylcyclohexyl)propan-1-ol (CID 165446079) is 3-amino-2-(4-ethylcyclohexyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-ethylcyclohexyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-ethylcyclohexyl)propan-1-ol is CCC1CCC(C(CN)CO)CC1.
What is the InChIKey of 3-amino-2-(4-ethylcyclohexyl)propan-1-ol?
The InChIKey is AWVKMHFXELAFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-9-3-5-10(6-4-9)11(7-12)8-13/h9-11,13H,2-8,12H2,1H3.
What are the key properties of 3-amino-2-(4-ethylcyclohexyl)propan-1-ol?
3-amino-2-(4-ethylcyclohexyl)propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-ethylcyclohexyl)propan-1-ol is sourced from PubChem (CID 165446079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).