N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine

C12H21NO — CID 143502676

IUPACN-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine
SMILESC/C=C\C=C/C=C/OCCNCCC
InChIInChI=1S/C12H21NO/c1-3-5-6-7-8-11-14-12-10-13-9-4-2/h3,5-8,11,13H,4,9-10,12H2,1-2H3/b5-3-,7-6-,11-8+
InChIKeyVEWNXXKUHGISGO-NEUZKSQASA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds8

About N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine

N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine (PubChem CID 143502676) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine
PubChem CID143502676
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine
SMILESC/C=C\C=C/C=C/OCCNCCC
InChIInChI=1S/C12H21NO/c1-3-5-6-7-8-11-14-12-10-13-9-4-2/h3,5-8,11,13H,4,9-10,12H2,1-2H3/b5-3-,7-6-,11-8+
InChIKeyVEWNXXKUHGISGO-NEUZKSQASA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.65
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': 'polyene', 'substructure': 'N/A'}

Analyze N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-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 N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine (CID 143502676) is N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine is C/C=C\C=C/C=C/OCCNCCC.
What is the InChIKey of N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine?
The InChIKey is VEWNXXKUHGISGO-NEUZKSQASA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-6-7-8-11-14-12-10-13-9-4-2/h3,5-8,11,13H,4,9-10,12H2,1-2H3/b5-3-,7-6-,11-8+.
What are the key properties of N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine?
N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]ethyl]propan-1-amine is sourced from PubChem (CID 143502676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).