(1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine

C18H25N — CID 118883021

IUPAC(1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C(=C/NC)C(C)C)c1ccc(C)cc1C
InChIInChI=1S/C18H25N/c1-13(2)17(12-19-6)9-8-15(4)18-10-7-14(3)11-16(18)5/h7-13,19H,4H2,1-3,5-6H3/b9-8-,17-12+
InChIKeyXOWXRCPXEYNTKQ-PQUFBVFYSA-N
MW255.40 g/mol
LogP4.63
Rot. Bonds5

About (1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine

(1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine (PubChem CID 118883021) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is (1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine
PubChem CID118883021
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name(1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C(=C/NC)C(C)C)c1ccc(C)cc1C
InChIInChI=1S/C18H25N/c1-13(2)17(12-19-6)9-8-15(4)18-10-7-14(3)11-16(18)5/h7-13,19H,4H2,1-3,5-6H3/b9-8-,17-12+
InChIKeyXOWXRCPXEYNTKQ-PQUFBVFYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.63
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)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine (CID 118883021) is (1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine is C=C(/C=C\C(=C/NC)C(C)C)c1ccc(C)cc1C.
What is the InChIKey of (1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine?
The InChIKey is XOWXRCPXEYNTKQ-PQUFBVFYSA-N. The full InChI is InChI=1S/C18H25N/c1-13(2)17(12-19-6)9-8-15(4)18-10-7-14(3)11-16(18)5/h7-13,19H,4H2,1-3,5-6H3/b9-8-,17-12+.
What are the key properties of (1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine has a molecular weight of 255.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 118883021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).