3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide

C10H18N2O2 — CID 106171137

IUPAC3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC1CC=CCC1
InChIInChI=1S/C10H18N2O2/c11-10(14)9(13)7-12-6-8-4-2-1-3-5-8/h1-2,8-9,12-13H,3-7H2,(H2,11,14)
InChIKeyHDVLXHMHFWAMDI-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.22
Rot. Bonds5

About 3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide

3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide (PubChem CID 106171137) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide
PubChem CID106171137
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCC1CC=CCC1
InChIInChI=1S/C10H18N2O2/c11-10(14)9(13)7-12-6-8-4-2-1-3-5-8/h1-2,8-9,12-13H,3-7H2,(H2,11,14)
InChIKeyHDVLXHMHFWAMDI-UHFFFAOYSA-N
XLogP-0.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide 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

3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide
CID 163505050
N-(2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
CID 43418354
N-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 83030466
N-[(2R)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 83031693
N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 104593593
3-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methoxypropanamide
CID 106112694
3-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)-2-hydroxypropanamide
CID 106171180
3-(6-Bicyclo[3.2.0]hept-3-enylamino)-2-hydroxypropanamide
CID 106171182
3-[1-(2-Bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide
CID 106171189
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-2-hydroxypropanamide
CID 106171929
3-(Hept-6-enylamino)-2-hydroxypropanamide
CID 106174430
3-(Cyclohex-2-en-1-ylamino)-2-hydroxypropanamide
CID 106174834

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide (CID 106171137) is 3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide is NC(=O)C(O)CNCC1CC=CCC1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide?
The InChIKey is HDVLXHMHFWAMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-10(14)9(13)7-12-6-8-4-2-1-3-5-8/h1-2,8-9,12-13H,3-7H2,(H2,11,14).
What are the key properties of 3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide?
3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide has a molecular weight of 198.27 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106171137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).