4-[(Z)-non-2-enoxy]pent-4-en-1-amine

C14H27NO — CID 176571630

IUPAC4-[(Z)-non-2-enoxy]pent-4-en-1-amine
SMILESC=C(CCCN)OC/C=C\CCCCCC
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-13-16-14(2)11-10-12-15/h8-9H,2-7,10-13,15H2,1H3/b9-8-
InChIKeyYXUAJBXHCRGGJL-HJWRWDBZSA-N
MW225.38 g/mol
LogP3.78
Rot. Bonds11

About 4-[(Z)-non-2-enoxy]pent-4-en-1-amine

4-[(Z)-non-2-enoxy]pent-4-en-1-amine (PubChem CID 176571630) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[(Z)-non-2-enoxy]pent-4-en-1-amine.

Molecular Properties

Compound Name4-[(Z)-non-2-enoxy]pent-4-en-1-amine
PubChem CID176571630
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-[(Z)-non-2-enoxy]pent-4-en-1-amine
SMILESC=C(CCCN)OC/C=C\CCCCCC
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-13-16-14(2)11-10-12-15/h8-9H,2-7,10-13,15H2,1H3/b9-8-
InChIKeyYXUAJBXHCRGGJL-HJWRWDBZSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(Z)-non-2-enoxy]pent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-non-2-enoxy]pent-4-en-1-amine?
The IUPAC name of 4-[(Z)-non-2-enoxy]pent-4-en-1-amine (CID 176571630) is 4-[(Z)-non-2-enoxy]pent-4-en-1-amine.
What is the SMILES notation for 4-[(Z)-non-2-enoxy]pent-4-en-1-amine?
The canonical SMILES for 4-[(Z)-non-2-enoxy]pent-4-en-1-amine is C=C(CCCN)OC/C=C\CCCCCC.
What is the InChIKey of 4-[(Z)-non-2-enoxy]pent-4-en-1-amine?
The InChIKey is YXUAJBXHCRGGJL-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-13-16-14(2)11-10-12-15/h8-9H,2-7,10-13,15H2,1H3/b9-8-.
What are the key properties of 4-[(Z)-non-2-enoxy]pent-4-en-1-amine?
4-[(Z)-non-2-enoxy]pent-4-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-non-2-enoxy]pent-4-en-1-amine is sourced from PubChem (CID 176571630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).