1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol

C11H23NO — CID 163989914

IUPAC1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol
SMILESCC(O)CC1CCC(CCN)CC1
InChIInChI=1S/C11H23NO/c1-9(13)8-11-4-2-10(3-5-11)6-7-12/h9-11,13H,2-8,12H2,1H3
InChIKeyTZRVUHUHERTEJO-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.91
Rot. Bonds4

About 1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol

1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol (PubChem CID 163989914) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol
PubChem CID163989914
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol
SMILESCC(O)CC1CCC(CCN)CC1
InChIInChI=1S/C11H23NO/c1-9(13)8-11-4-2-10(3-5-11)6-7-12/h9-11,13H,2-8,12H2,1H3
InChIKeyTZRVUHUHERTEJO-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol 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

Paecilaminol
CID 10236627
2-Cyclooctyl-2-hydroxyethylamine
CID 1551
2-Cyclooctyl-2-hydroxyethylamine hydrochloride
CID 11957507
[3-(Aminomethyl)-5-methylcyclohexyl]methan-1-ol
CID 3107848
2-Amino-1-cyclohexylethan-1-ol
CID 11990554
(3S,4S,5R)-4-amino-3-methylicosan-5-ol
CID 9967180
(2R,3S)-2-amino-11-methyldodecan-3-ol
CID 44127631
2-Amino-1-cycloheptylethan-1-ol
CID 44272153
2-Amino-1-cyclohexyl-ethanol hydrochloride
CID 49861475
Cyclohexanemethanol, 4-(aminomethyl)-
CID 70631
1-Cyclohexyl-2-(methylamino)ethan-1-ol
CID 89518
Cyclohexanol, 4-(2-methylaminoethyl)-
CID 3048673

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol?
The IUPAC name of 1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol (CID 163989914) is 1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol?
The canonical SMILES for 1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol is CC(O)CC1CCC(CCN)CC1.
What is the InChIKey of 1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol?
The InChIKey is TZRVUHUHERTEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(13)8-11-4-2-10(3-5-11)6-7-12/h9-11,13H,2-8,12H2,1H3.
What are the key properties of 1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol?
1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 163989914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).