2-(1-aminoethyl)-4-propylcyclohexan-1-ol

C11H23NO — CID 170419376

IUPAC2-(1-aminoethyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(C(C)N)C1
InChIInChI=1S/C11H23NO/c1-3-4-9-5-6-11(13)10(7-9)8(2)12/h8-11,13H,3-7,12H2,1-2H3
InChIKeyICZXKJZBZSFGHG-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.91
Rot. Bonds3

About 2-(1-aminoethyl)-4-propylcyclohexan-1-ol

2-(1-aminoethyl)-4-propylcyclohexan-1-ol (PubChem CID 170419376) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-propylcyclohexan-1-ol
PubChem CID170419376
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(1-aminoethyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(C(C)N)C1
InChIInChI=1S/C11H23NO/c1-3-4-9-5-6-11(13)10(7-9)8(2)12/h8-11,13H,3-7,12H2,1-2H3
InChIKeyICZXKJZBZSFGHG-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

2-pentan-2-yl-4-propylcyclohexan-1-ol
CID 107885956
(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
2-(2-methylbutyl)-4-propylcyclohexan-1-ol
CID 63459236
2-(2-methylpentyl)-4-propylcyclohexan-1-ol
CID 63461803
2-ethyl-5-propylcyclohexan-1-ol
CID 58534322
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
CID 107889260
1-(2-methylpropyl)-3-propylcyclopentane
CID 14325896
2-(3-hydroxypropyl)-4-propylcyclohexan-1-ol
CID 79422814
[2-(4-methylpentan-2-yl)-4-propylcyclohexyl]methanamine
CID 114284991
(3-propylcyclopentyl)methanamine
CID 83635339
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-propylcyclohexan-1-ol?
The IUPAC name of 2-(1-aminoethyl)-4-propylcyclohexan-1-ol (CID 170419376) is 2-(1-aminoethyl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-(1-aminoethyl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-(1-aminoethyl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(C(C)N)C1.
What is the InChIKey of 2-(1-aminoethyl)-4-propylcyclohexan-1-ol?
The InChIKey is ICZXKJZBZSFGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-9-5-6-11(13)10(7-9)8(2)12/h8-11,13H,3-7,12H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-4-propylcyclohexan-1-ol?
2-(1-aminoethyl)-4-propylcyclohexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 170419376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).