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

C10H19NO — CID 87438837

IUPAC4-(ethylaminomethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CNCC
InChIInChI=1S/C10H19NO/c1-4-7-10(12,8-5-2)9-11-6-3/h4-5,11-12H,1-2,6-9H2,3H3
InChIKeyXLHBHAHWHUOPDE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.48
Rot. Bonds7

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

4-(ethylaminomethyl)hepta-1,6-dien-4-ol (PubChem CID 87438837) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(ethylaminomethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(ethylaminomethyl)hepta-1,6-dien-4-ol
PubChem CID87438837
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(ethylaminomethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CNCC
InChIInChI=1S/C10H19NO/c1-4-7-10(12,8-5-2)9-11-6-3/h4-5,11-12H,1-2,6-9H2,3H3
InChIKeyXLHBHAHWHUOPDE-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.48
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-(ethylaminomethyl)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(ethylaminomethyl)hepta-1,6-dien-4-ol (CID 87438837) is 4-(ethylaminomethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(ethylaminomethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(ethylaminomethyl)hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)CNCC.
What is the InChIKey of 4-(ethylaminomethyl)hepta-1,6-dien-4-ol?
The InChIKey is XLHBHAHWHUOPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-7-10(12,8-5-2)9-11-6-3/h4-5,11-12H,1-2,6-9H2,3H3.
What are the key properties of 4-(ethylaminomethyl)hepta-1,6-dien-4-ol?
4-(ethylaminomethyl)hepta-1,6-dien-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 87438837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).