(1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine

C16H21N — CID 121342882

IUPAC(1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C=C/NC)c1cc(C)cc(C)c1C
InChIInChI=1S/C16H21N/c1-12-10-14(3)15(4)16(11-12)13(2)8-6-7-9-17-5/h6-11,17H,2H2,1,3-5H3/b8-6-,9-7-
InChIKeyWVERNEPRABYAMO-VRHVFUOLSA-N
MW227.35 g/mol
LogP3.91
Rot. Bonds4

About (1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine

(1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine (PubChem CID 121342882) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine
PubChem CID121342882
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C=C/NC)c1cc(C)cc(C)c1C
InChIInChI=1S/C16H21N/c1-12-10-14(3)15(4)16(11-12)13(2)8-6-7-9-17-5/h6-11,17H,2H2,1,3-5H3/b8-6-,9-7-
InChIKeyWVERNEPRABYAMO-VRHVFUOLSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine (CID 121342882) is (1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine is C=C(/C=C\C=C/NC)c1cc(C)cc(C)c1C.
What is the InChIKey of (1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine?
The InChIKey is WVERNEPRABYAMO-VRHVFUOLSA-N. The full InChI is InChI=1S/C16H21N/c1-12-10-14(3)15(4)16(11-12)13(2)8-6-7-9-17-5/h6-11,17H,2H2,1,3-5H3/b8-6-,9-7-.
What are the key properties of (1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine?
(1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine has a molecular weight of 227.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 121342882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).