(E)-1-(2-hydroxyethylamino)hept-3-en-2-ol

C9H19NO2 — CID 101275171

IUPAC(E)-1-(2-hydroxyethylamino)hept-3-en-2-ol
SMILESCCC/C=C/C(O)CNCCO
InChIInChI=1S/C9H19NO2/c1-2-3-4-5-9(12)8-10-6-7-11/h4-5,9-12H,2-3,6-8H2,1H3/b5-4+
InChIKeyBODUFTAMYYKSHV-SNAWJCMRSA-N
MW173.26 g/mol
LogP0.29
Rot. Bonds7

About (E)-1-(2-hydroxyethylamino)hept-3-en-2-ol

(E)-1-(2-hydroxyethylamino)hept-3-en-2-ol (PubChem CID 101275171) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (E)-1-(2-hydroxyethylamino)hept-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-(2-hydroxyethylamino)hept-3-en-2-ol
PubChem CID101275171
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(E)-1-(2-hydroxyethylamino)hept-3-en-2-ol
SMILESCCC/C=C/C(O)CNCCO
InChIInChI=1S/C9H19NO2/c1-2-3-4-5-9(12)8-10-6-7-11/h4-5,9-12H,2-3,6-8H2,1H3/b5-4+
InChIKeyBODUFTAMYYKSHV-SNAWJCMRSA-N
XLogP0.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-(2-hydroxyethylamino)hept-3-en-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

2-(hex-2-enylamino)ethanol
CID 173239159
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
(5E)-nona-1,5-dien-4-ol
CID 10931514
4-hydroxynon-5-en-2-one
CID 71379683
2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
1-but-2-enoxy-3-(2-hydroxyethylamino)propan-2-ol
CID 173393097
2-aminooct-4-ene-1,3-diol
CID 56625558
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
(E)-1-methoxyhex-2-en-1-ol
CID 130131054
N-[(Z,2S)-2-hydroxyheptadec-3-enyl]hexadecanamide
CID 172946526
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
(E)-octadec-6-ene-1,8-diol
CID 10265918

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-hydroxyethylamino)hept-3-en-2-ol?
The IUPAC name of (E)-1-(2-hydroxyethylamino)hept-3-en-2-ol (CID 101275171) is (E)-1-(2-hydroxyethylamino)hept-3-en-2-ol.
What is the SMILES notation for (E)-1-(2-hydroxyethylamino)hept-3-en-2-ol?
The canonical SMILES for (E)-1-(2-hydroxyethylamino)hept-3-en-2-ol is CCC/C=C/C(O)CNCCO.
What is the InChIKey of (E)-1-(2-hydroxyethylamino)hept-3-en-2-ol?
The InChIKey is BODUFTAMYYKSHV-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-3-4-5-9(12)8-10-6-7-11/h4-5,9-12H,2-3,6-8H2,1H3/b5-4+.
What are the key properties of (E)-1-(2-hydroxyethylamino)hept-3-en-2-ol?
(E)-1-(2-hydroxyethylamino)hept-3-en-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxyethylamino)hept-3-en-2-ol is sourced from PubChem (CID 101275171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).