(3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine

C12H21NO — CID 143108233

IUPAC(3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine
SMILESC=C/C(=C\C=C(/CC)NCCC)OC
InChIInChI=1S/C12H21NO/c1-5-10-13-11(6-2)8-9-12(7-3)14-4/h7-9,13H,3,5-6,10H2,1-2,4H3/b11-8+,12-9+
InChIKeyRKNBHFVWQHBUOY-HZOWPXDZSA-N
MW195.31 g/mol
LogP3.00
Rot. Bonds7

About (3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine

(3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine (PubChem CID 143108233) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine
PubChem CID143108233
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine
SMILESC=C/C(=C\C=C(/CC)NCCC)OC
InChIInChI=1S/C12H21NO/c1-5-10-13-11(6-2)8-9-12(7-3)14-4/h7-9,13H,3,5-6,10H2,1-2,4H3/b11-8+,12-9+
InChIKeyRKNBHFVWQHBUOY-HZOWPXDZSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
(3Z,5Z)-6-methoxy-5-N,2,2-trimethylocta-3,5,7-triene-3,5-diamine
CID 88960997
3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 88992990
(3E,5E)-N-methyl-5-propan-2-yloxyhepta-3,5-dien-3-amine
CID 89088325
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
6-methoxy-N-methylocta-4,6-dien-1-amine
CID 123371000
(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine
CID 129144493
N'-(2-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 130281454
(3E)-N-ethyl-5-methoxyhexa-3,5-dien-3-amine
CID 134333921
(3E)-4-methoxy-N-propylhexa-1,3-dien-2-amine
CID 134333960
(2E)-4-methoxy-N-propylpenta-2,4-dien-2-amine
CID 134334067

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine?
The IUPAC name of (3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine (CID 143108233) is (3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine.
What is the SMILES notation for (3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine?
The canonical SMILES for (3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine is C=C/C(=C\C=C(/CC)NCCC)OC.
What is the InChIKey of (3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine?
The InChIKey is RKNBHFVWQHBUOY-HZOWPXDZSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-10-13-11(6-2)8-9-12(7-3)14-4/h7-9,13H,3,5-6,10H2,1-2,4H3/b11-8+,12-9+.
What are the key properties of (3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine?
(3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine has a molecular weight of 195.31 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine is sourced from PubChem (CID 143108233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).