N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline

C15H17N — CID 143265110

IUPACN-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline
SMILESC=C/C=C\C(=C)/C=C/c1ccc(NC)cc1
InChIInChI=1S/C15H17N/c1-4-5-6-13(2)7-8-14-9-11-15(16-3)12-10-14/h4-12,16H,1-2H2,3H3/b6-5-,8-7+
InChIKeyMTZVNMAFWQUWCU-IGTJQSIKSA-N
MW211.31 g/mol
LogP4.04
Rot. Bonds5

About N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline

N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline (PubChem CID 143265110) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline
PubChem CID143265110
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC NameN-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline
SMILESC=C/C=C\C(=C)/C=C/c1ccc(NC)cc1
InChIInChI=1S/C15H17N/c1-4-5-6-13(2)7-8-14-9-11-15(16-3)12-10-14/h4-12,16H,1-2H2,3H3/b6-5-,8-7+
InChIKeyMTZVNMAFWQUWCU-IGTJQSIKSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[4-[(4Z)-3-methylidenehepta-1,4,6-trienyl]phenyl]benzene
CID 145376041
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one;methane
CID 165078297
methanol;4-(methylamino)benzaldehyde;prop-2-enal
CID 153387610
4-[(1E,3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraenyl]-N,N-dimethylaniline
CID 143577909
4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline
CID 142259487
4-[4-(methylamino)phenyl]but-3-en-1-ol
CID 170476280
N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline
CID 177135056
N-methyl-4-(2-methylprop-1-enyl)aniline
CID 54423846
1-[4-[(1E,4Z,6Z)-3-methylideneocta-1,4,6-trienyl]phenyl]pyrrolidine-3,4-diol
CID 90055846
[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
CID 142883812
4-[(1E)-3-(methylamino)buta-1,3-dienyl]aniline
CID 155187511
ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline
CID 177153138

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline?
The IUPAC name of N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline (CID 143265110) is N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline.
What is the SMILES notation for N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline?
The canonical SMILES for N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline is C=C/C=C\C(=C)/C=C/c1ccc(NC)cc1.
What is the InChIKey of N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline?
The InChIKey is MTZVNMAFWQUWCU-IGTJQSIKSA-N. The full InChI is InChI=1S/C15H17N/c1-4-5-6-13(2)7-8-14-9-11-15(16-3)12-10-14/h4-12,16H,1-2H2,3H3/b6-5-,8-7+.
What are the key properties of N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline?
N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline has a molecular weight of 211.31 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1E,4Z)-3-methylidenehepta-1,4,6-trienyl]aniline is sourced from PubChem (CID 143265110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).