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

C9H17NO — CID 3151740

IUPAC4-(1-aminoethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C(C)N
InChIInChI=1S/C9H17NO/c1-4-6-9(11,7-5-2)8(3)10/h4-5,8,11H,1-2,6-7,10H2,3H3
InChIKeyJDCZKKQVTDSZTM-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.22
Rot. Bonds5

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

4-(1-aminoethyl)hepta-1,6-dien-4-ol (PubChem CID 3151740) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(1-aminoethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(1-aminoethyl)hepta-1,6-dien-4-ol
PubChem CID3151740
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(1-aminoethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C(C)N
InChIInChI=1S/C9H17NO/c1-4-6-9(11,7-5-2)8(3)10/h4-5,8,11H,1-2,6-7,10H2,3H3
InChIKeyJDCZKKQVTDSZTM-UHFFFAOYSA-N
XLogP1.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.22
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-(1-aminoethyl)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(1-aminoethyl)hepta-1,6-dien-4-ol (CID 3151740) is 4-(1-aminoethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(1-aminoethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(1-aminoethyl)hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)C(C)N.
What is the InChIKey of 4-(1-aminoethyl)hepta-1,6-dien-4-ol?
The InChIKey is JDCZKKQVTDSZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-9(11,7-5-2)8(3)10/h4-5,8,11H,1-2,6-7,10H2,3H3.
What are the key properties of 4-(1-aminoethyl)hepta-1,6-dien-4-ol?
4-(1-aminoethyl)hepta-1,6-dien-4-ol has a molecular weight of 155.24 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 3151740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).