(E)-5-amino-2-methylpent-3-en-1-ol

C6H13NO — CID 15755226

IUPAC(E)-5-amino-2-methylpent-3-en-1-ol
SMILESCC(/C=C/CN)CO
InChIInChI=1S/C6H13NO/c1-6(5-8)3-2-4-7/h2-3,6,8H,4-5,7H2,1H3/b3-2+
InChIKeyHXZHWXNVOYDHCI-NSCUHMNNSA-N
MW115.18 g/mol
LogP0.13
Rot. Bonds3

About (E)-5-amino-2-methylpent-3-en-1-ol

(E)-5-amino-2-methylpent-3-en-1-ol (PubChem CID 15755226) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (E)-5-amino-2-methylpent-3-en-1-ol.

Molecular Properties

Compound Name(E)-5-amino-2-methylpent-3-en-1-ol
PubChem CID15755226
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(E)-5-amino-2-methylpent-3-en-1-ol
SMILESCC(/C=C/CN)CO
InChIInChI=1S/C6H13NO/c1-6(5-8)3-2-4-7/h2-3,6,8H,4-5,7H2,1H3/b3-2+
InChIKeyHXZHWXNVOYDHCI-NSCUHMNNSA-N
XLogP0.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-amino-2-methylpent-3-en-1-ol?
The IUPAC name of (E)-5-amino-2-methylpent-3-en-1-ol (CID 15755226) is (E)-5-amino-2-methylpent-3-en-1-ol.
What is the SMILES notation for (E)-5-amino-2-methylpent-3-en-1-ol?
The canonical SMILES for (E)-5-amino-2-methylpent-3-en-1-ol is CC(/C=C/CN)CO.
What is the InChIKey of (E)-5-amino-2-methylpent-3-en-1-ol?
The InChIKey is HXZHWXNVOYDHCI-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(5-8)3-2-4-7/h2-3,6,8H,4-5,7H2,1H3/b3-2+.
What are the key properties of (E)-5-amino-2-methylpent-3-en-1-ol?
(E)-5-amino-2-methylpent-3-en-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-amino-2-methylpent-3-en-1-ol is sourced from PubChem (CID 15755226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).