(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine

C12H21NO — CID 139539796

IUPAC(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine
SMILESC=C/C(=C/C(=C)CN(C)CCC)OC
InChIInChI=1S/C12H21NO/c1-6-8-13(4)10-11(3)9-12(7-2)14-5/h7,9H,2-3,6,8,10H2,1,4-5H3/b12-9-
InChIKeySPQTXDWRPXUKBQ-XFXZXTDPSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds7

About (3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine

(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine (PubChem CID 139539796) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine
PubChem CID139539796
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine
SMILESC=C/C(=C/C(=C)CN(C)CCC)OC
InChIInChI=1S/C12H21NO/c1-6-8-13(4)10-11(3)9-12(7-2)14-5/h7,9H,2-3,6,8,10H2,1,4-5H3/b12-9-
InChIKeySPQTXDWRPXUKBQ-XFXZXTDPSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
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-methoxy-N-methyl-2-methylidene-N-propylhexa-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

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine (CID 139539796) is (3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine is C=C/C(=C/C(=C)CN(C)CCC)OC.
What is the InChIKey of (3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine?
The InChIKey is SPQTXDWRPXUKBQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-8-13(4)10-11(3)9-12(7-2)14-5/h7,9H,2-3,6,8,10H2,1,4-5H3/b12-9-.
What are the key properties of (3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine?
(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine is sourced from PubChem (CID 139539796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).