3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide

C14H28N2O2 — CID 62807652

IUPAC3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CCO)C(=O)C1CCCC(CCN)C1
InChIInChI=1S/C14H28N2O2/c1-2-8-16(9-10-17)14(18)13-5-3-4-12(11-13)6-7-15/h12-13,17H,2-11,15H2,1H3
InChIKeyXBKQOHDRTPGFLJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.37
Rot. Bonds7

About 3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide

3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide (PubChem CID 62807652) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide
PubChem CID62807652
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide
SMILESCCCN(CCO)C(=O)C1CCCC(CCN)C1
InChIInChI=1S/C14H28N2O2/c1-2-8-16(9-10-17)14(18)13-5-3-4-12(11-13)6-7-15/h12-13,17H,2-11,15H2,1H3
InChIKeyXBKQOHDRTPGFLJ-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide 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

N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831
3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107487353
3-[bis(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783484
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide
CID 119746849
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119746848
3-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62806618
4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783137
3-propylcyclohexane-1-carboxamide
CID 141116974
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 82960840
N-(2-hydroxyethyl)-N-propyloxane-4-carboxamide
CID 60670853

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide (CID 62807652) is 3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide is CCCN(CCO)C(=O)C1CCCC(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide?
The InChIKey is XBKQOHDRTPGFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-8-16(9-10-17)14(18)13-5-3-4-12(11-13)6-7-15/h12-13,17H,2-11,15H2,1H3.
What are the key properties of 3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(2-hydroxyethyl)-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 62807652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).