(3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine

C13H23NO — CID 143115327

IUPAC(3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine
SMILESC/C=C\C(=C/C(=C/CC)OC)CCNC
InChIInChI=1S/C13H23NO/c1-5-7-12(9-10-14-3)11-13(15-4)8-6-2/h5,7-8,11,14H,6,9-10H2,1-4H3/b7-5-,12-11+,13-8-
InChIKeyUNYRGDUBJMAXTP-WUSDISQPSA-N
MW209.33 g/mol
LogP3.04
Rot. Bonds7

About (3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine

(3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine (PubChem CID 143115327) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine
PubChem CID143115327
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine
SMILESC/C=C\C(=C/C(=C/CC)OC)CCNC
InChIInChI=1S/C13H23NO/c1-5-7-12(9-10-14-3)11-13(15-4)8-6-2/h5,7-8,11,14H,6,9-10H2,1-4H3/b7-5-,12-11+,13-8-
InChIKeyUNYRGDUBJMAXTP-WUSDISQPSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.04
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 (3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-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

Related Compounds

1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89276342
N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine
CID 142930266
N-[(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
CID 67926730
1-(3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 68046425
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
2-(1-iodo-4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 71015130
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
CID 88585562
3-[5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 88992990
1-(3-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 88997268
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine
CID 89209333

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine (CID 143115327) is (3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine is C/C=C\C(=C/C(=C/CC)OC)CCNC.
What is the InChIKey of (3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine?
The InChIKey is UNYRGDUBJMAXTP-WUSDISQPSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-7-12(9-10-14-3)11-13(15-4)8-6-2/h5,7-8,11,14H,6,9-10H2,1-4H3/b7-5-,12-11+,13-8-.
What are the key properties of (3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine?
(3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-methoxy-N-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-1-amine is sourced from PubChem (CID 143115327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).