4-(aminomethyl)hepta-1,6-dien-4-ol

C8H15NO — CID 3138069

IUPAC4-(aminomethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CN)CC=C
InChIInChI=1S/C8H15NO/c1-3-5-8(10,7-9)6-4-2/h3-4,10H,1-2,5-7,9H2
InChIKeyWZMOMSZBBJYAOE-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.83
Rot. Bonds5

About 4-(aminomethyl)hepta-1,6-dien-4-ol

4-(aminomethyl)hepta-1,6-dien-4-ol (PubChem CID 3138069) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-(aminomethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)hepta-1,6-dien-4-ol
PubChem CID3138069
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-(aminomethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CN)CC=C
InChIInChI=1S/C8H15NO/c1-3-5-8(10,7-9)6-4-2/h3-4,10H,1-2,5-7,9H2
InChIKeyWZMOMSZBBJYAOE-UHFFFAOYSA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.83
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)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(aminomethyl)hepta-1,6-dien-4-ol (CID 3138069) is 4-(aminomethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(aminomethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(aminomethyl)hepta-1,6-dien-4-ol is C=CCC(O)(CN)CC=C.
What is the InChIKey of 4-(aminomethyl)hepta-1,6-dien-4-ol?
The InChIKey is WZMOMSZBBJYAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-8(10,7-9)6-4-2/h3-4,10H,1-2,5-7,9H2.
What are the key properties of 4-(aminomethyl)hepta-1,6-dien-4-ol?
4-(aminomethyl)hepta-1,6-dien-4-ol has a molecular weight of 141.21 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 3138069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).