(1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine

C14H17N — CID 167283713

IUPAC(1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C=C/N(C)Cc1ccccc1
InChIInChI=1S/C14H17N/c1-3-4-5-9-12-15(2)13-14-10-7-6-8-11-14/h3-12H,1,13H2,2H3/b5-4-,12-9-
InChIKeyRLRHQRZVPJLVQG-XJJAZQAQSA-N
MW199.30 g/mol
LogP3.37
Rot. Bonds5

About (1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine (PubChem CID 167283713) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine
PubChem CID167283713
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C=C/N(C)Cc1ccccc1
InChIInChI=1S/C14H17N/c1-3-4-5-9-12-15(2)13-14-10-7-6-8-11-14/h3-12H,1,13H2,2H3/b5-4-,12-9-
InChIKeyRLRHQRZVPJLVQG-XJJAZQAQSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-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

(E)-1-[benzyl(methyl)amino]pent-1-en-3-one
CID 122202331
(E)-5-[benzyl(methyl)amino]pent-4-en-2-one
CID 101461790
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
4-[benzyl(methyl)amino]-4-prop-2-enoylhepta-1,6-diene-3,5-dione
CID 175740465
N-benzyl-N,2,2-trimethylbut-3-en-1-amine
CID 101149207
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
CID 174647778
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
1-benzyl-1,2,2-trimethylhydrazine
CID 23468062

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine (CID 167283713) is (1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine is C=C/C=C\C=C/N(C)Cc1ccccc1.
What is the InChIKey of (1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine?
The InChIKey is RLRHQRZVPJLVQG-XJJAZQAQSA-N. The full InChI is InChI=1S/C14H17N/c1-3-4-5-9-12-15(2)13-14-10-7-6-8-11-14/h3-12H,1,13H2,2H3/b5-4-,12-9-.
What are the key properties of (1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine has a molecular weight of 199.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-benzyl-N-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 167283713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).