4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine

C14H19N — CID 88909574

IUPAC4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine
SMILESC=C/C(C)=C\C=C\NC1=CCC(C)C=C1
InChIInChI=1S/C14H19N/c1-4-12(2)6-5-11-15-14-9-7-13(3)8-10-14/h4-7,9-11,13,15H,1,8H2,2-3H3/b11-5+,12-6-
InChIKeyBMFKWCRAKFEGNP-MCSXFCTQSA-N
MW201.31 g/mol
LogP3.70
Rot. Bonds4

About 4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine

4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine (PubChem CID 88909574) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine
PubChem CID88909574
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine
SMILESC=C/C(C)=C\C=C\NC1=CCC(C)C=C1
InChIInChI=1S/C14H19N/c1-4-12(2)6-5-11-15-14-9-7-13(3)8-10-14/h4-7,9-11,13,15H,1,8H2,2-3H3/b11-5+,12-6-
InChIKeyBMFKWCRAKFEGNP-MCSXFCTQSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.70
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 4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine (CID 88909574) is 4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine is C=C/C(C)=C\C=C\NC1=CCC(C)C=C1.
What is the InChIKey of 4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is BMFKWCRAKFEGNP-MCSXFCTQSA-N. The full InChI is InChI=1S/C14H19N/c1-4-12(2)6-5-11-15-14-9-7-13(3)8-10-14/h4-7,9-11,13,15H,1,8H2,2-3H3/b11-5+,12-6-.
What are the key properties of 4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine?
4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 88909574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).