4-(aminomethyl)pent-4-en-1-ol

C6H13NO — CID 89093313

IUPAC4-(aminomethyl)pent-4-en-1-ol
SMILESC=C(CN)CCCO
InChIInChI=1S/C6H13NO/c1-6(5-7)3-2-4-8/h8H,1-5,7H2
InChIKeyNAFCUKMJZZIBHP-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.27
Rot. Bonds4

About 4-(aminomethyl)pent-4-en-1-ol

4-(aminomethyl)pent-4-en-1-ol (PubChem CID 89093313) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-(aminomethyl)pent-4-en-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)pent-4-en-1-ol
PubChem CID89093313
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-(aminomethyl)pent-4-en-1-ol
SMILESC=C(CN)CCCO
InChIInChI=1S/C6H13NO/c1-6(5-7)3-2-4-8/h8H,1-5,7H2
InChIKeyNAFCUKMJZZIBHP-UHFFFAOYSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.27
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 4-(aminomethyl)pent-4-en-1-ol?
The IUPAC name of 4-(aminomethyl)pent-4-en-1-ol (CID 89093313) is 4-(aminomethyl)pent-4-en-1-ol.
What is the SMILES notation for 4-(aminomethyl)pent-4-en-1-ol?
The canonical SMILES for 4-(aminomethyl)pent-4-en-1-ol is C=C(CN)CCCO.
What is the InChIKey of 4-(aminomethyl)pent-4-en-1-ol?
The InChIKey is NAFCUKMJZZIBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(5-7)3-2-4-8/h8H,1-5,7H2.
What are the key properties of 4-(aminomethyl)pent-4-en-1-ol?
4-(aminomethyl)pent-4-en-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)pent-4-en-1-ol is sourced from PubChem (CID 89093313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).