3-(aminomethyl)pent-2-ene-1,5-diol

C6H13NO2 — CID 91394565

IUPAC3-(aminomethyl)pent-2-ene-1,5-diol
SMILESNCC(=CCO)CCO
InChIInChI=1S/C6H13NO2/c7-5-6(1-3-8)2-4-9/h1,8-9H,2-5,7H2
InChIKeyPKKPAHMHNAHFQO-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.75
Rot. Bonds4

About 3-(aminomethyl)pent-2-ene-1,5-diol

3-(aminomethyl)pent-2-ene-1,5-diol (PubChem CID 91394565) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-(aminomethyl)pent-2-ene-1,5-diol.

Molecular Properties

Compound Name3-(aminomethyl)pent-2-ene-1,5-diol
PubChem CID91394565
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-(aminomethyl)pent-2-ene-1,5-diol
SMILESNCC(=CCO)CCO
InChIInChI=1S/C6H13NO2/c7-5-6(1-3-8)2-4-9/h1,8-9H,2-5,7H2
InChIKeyPKKPAHMHNAHFQO-UHFFFAOYSA-N
XLogP-0.75
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-2-ethylbut-2-en-1-ol
CID 57016611
(2E,3Z)-3-(aminomethyl)-2-ethylidene-5-methylhexa-3,5-diene-1,4-diol
CID 90125027
3-(2-Aminoethyl)pent-2-ene-1,5-diol
CID 91612169
[5-(Aminomethyl)cyclopenta-1,4-dien-1-yl]methanol
CID 117987077
1-Amino-2-methylpent-2-en-1-ol
CID 123946434
(2E)-2-[(E)-1-aminobut-2-en-2-yl]penta-2,4-dien-1-ol
CID 144176751
(E)-2-(2-aminoethyl)but-2-en-1-ol
CID 164092032
[6-(Aminomethyl)cyclohexa-1,5-dien-1-yl]methanol
CID 171835129
(E)-4-amino-2-ethylbut-2-en-1-ol
CID 55284709
2-(3,6-dihydro-2H-oxazin-4-yl)ethanol
CID 85773770
(Z)-4-amino-2-ethylbut-2-en-1-ol
CID 133672930

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)pent-2-ene-1,5-diol?
The IUPAC name of 3-(aminomethyl)pent-2-ene-1,5-diol (CID 91394565) is 3-(aminomethyl)pent-2-ene-1,5-diol.
What is the SMILES notation for 3-(aminomethyl)pent-2-ene-1,5-diol?
The canonical SMILES for 3-(aminomethyl)pent-2-ene-1,5-diol is NCC(=CCO)CCO.
What is the InChIKey of 3-(aminomethyl)pent-2-ene-1,5-diol?
The InChIKey is PKKPAHMHNAHFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c7-5-6(1-3-8)2-4-9/h1,8-9H,2-5,7H2.
What are the key properties of 3-(aminomethyl)pent-2-ene-1,5-diol?
3-(aminomethyl)pent-2-ene-1,5-diol has a molecular weight of 131.17 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)pent-2-ene-1,5-diol is sourced from PubChem (CID 91394565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).