(3Z)-4-methoxyhepta-1,3-dien-3-amine

C8H15NO — CID 143329606

IUPAC(3Z)-4-methoxyhepta-1,3-dien-3-amine
SMILESC=C/C(N)=C(\CCC)OC
InChIInChI=1S/C8H15NO/c1-4-6-8(10-3)7(9)5-2/h5H,2,4,6,9H2,1,3H3/b8-7-
InChIKeyVHWWOELDZBSFFV-FPLPWBNLSA-N
MW141.21 g/mol
LogP1.79
Rot. Bonds4

About (3Z)-4-methoxyhepta-1,3-dien-3-amine

(3Z)-4-methoxyhepta-1,3-dien-3-amine (PubChem CID 143329606) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3Z)-4-methoxyhepta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-4-methoxyhepta-1,3-dien-3-amine
PubChem CID143329606
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3Z)-4-methoxyhepta-1,3-dien-3-amine
SMILESC=C/C(N)=C(\CCC)OC
InChIInChI=1S/C8H15NO/c1-4-6-8(10-3)7(9)5-2/h5H,2,4,6,9H2,1,3H3/b8-7-
InChIKeyVHWWOELDZBSFFV-FPLPWBNLSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.79
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)-4-methoxyhepta-1,3-dien-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

2-Fluoro-5-methoxycyclohexa-1,5-dien-1-amine
CID 145165386
2-Methoxycyclohexa-1,5-dien-1-amine
CID 21659860
5-Methoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 70314240
2-Methoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 89001074
2,5-Dimethoxycyclohexa-1,5-dien-1-amine
CID 89025909
2-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 134424185
5-Ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine
CID 138711950
(3E)-4-methoxyhexa-1,3-dien-2-amine
CID 139378141
5-Methoxycyclohexa-1,5-dien-1-amine
CID 141836347
4-Methoxycyclohepta-1,3,6-trien-1-amine
CID 142264180
(2E,4E)-5-methoxyhepta-2,4-dien-2-amine
CID 142597245
ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine
CID 143329605

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methoxyhepta-1,3-dien-3-amine?
The IUPAC name of (3Z)-4-methoxyhepta-1,3-dien-3-amine (CID 143329606) is (3Z)-4-methoxyhepta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-4-methoxyhepta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-4-methoxyhepta-1,3-dien-3-amine is C=C/C(N)=C(\CCC)OC.
What is the InChIKey of (3Z)-4-methoxyhepta-1,3-dien-3-amine?
The InChIKey is VHWWOELDZBSFFV-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-8(10-3)7(9)5-2/h5H,2,4,6,9H2,1,3H3/b8-7-.
What are the key properties of (3Z)-4-methoxyhepta-1,3-dien-3-amine?
(3Z)-4-methoxyhepta-1,3-dien-3-amine has a molecular weight of 141.21 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methoxyhepta-1,3-dien-3-amine is sourced from PubChem (CID 143329606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).