(3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

C18H33N — CID 143252754

IUPAC(3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C/C)CCN(C)C(CCC)CC(C)C
InChIInChI=1S/C18H33N/c1-7-10-17(11-8-2)13-14-19(6)18(12-9-3)15-16(4)5/h7-8,10-11,16,18H,1,9,12-15H2,2-6H3/b11-8-,17-10+
InChIKeyIXQOPGHZBKLPFN-ULGOZLGSSA-N
MW263.47 g/mol
LogP5.21
Rot. Bonds10

About (3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

(3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (PubChem CID 143252754) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
PubChem CID143252754
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C/C)CCN(C)C(CCC)CC(C)C
InChIInChI=1S/C18H33N/c1-7-10-17(11-8-2)13-14-19(6)18(12-9-3)15-16(4)5/h7-8,10-11,16,18H,1,9,12-15H2,2-6H3/b11-8-,17-10+
InChIKeyIXQOPGHZBKLPFN-ULGOZLGSSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-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)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (CID 143252754) is (3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is C=C/C=C(\C=C/C)CCN(C)C(CCC)CC(C)C.
What is the InChIKey of (3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The InChIKey is IXQOPGHZBKLPFN-ULGOZLGSSA-N. The full InChI is InChI=1S/C18H33N/c1-7-10-17(11-8-2)13-14-19(6)18(12-9-3)15-16(4)5/h7-8,10-11,16,18H,1,9,12-15H2,2-6H3/b11-8-,17-10+.
What are the key properties of (3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
(3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine has a molecular weight of 263.47 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-N-(2-methylheptan-4-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is sourced from PubChem (CID 143252754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).