N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine

C32H33N — CID 142315652

IUPACN-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine
SMILESC=C(/C=C\C=C/N(Cc1ccccc1C)c1ccc2ccccc2c1)CC1=C(C)C=CCC1
InChIInChI=1S/C32H33N/c1-25(22-29-16-6-4-13-26(29)2)12-10-11-21-33(24-31-18-7-5-14-27(31)3)32-20-19-28-15-8-9-17-30(28)23-32/h4-5,7-15,17-21,23H,1,6,16,22,24H2,2-3H3/b12-10-,21-11-
InChIKeyZXRQMYJHQUIQJH-KTAAYRPZSA-N
MW431.62 g/mol
LogP8.84
Rot. Bonds8

About N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine

N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine (PubChem CID 142315652) has the molecular formula C32H33N and a molecular weight of 431.62 g/mol. Its IUPAC name is N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine
PubChem CID142315652
Molecular FormulaC32H33N
Molecular Weight431.62 g/mol
Exact Mass431.26
IUPAC NameN-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine
SMILESC=C(/C=C\C=C/N(Cc1ccccc1C)c1ccc2ccccc2c1)CC1=C(C)C=CCC1
InChIInChI=1S/C32H33N/c1-25(22-29-16-6-4-13-26(29)2)12-10-11-21-33(24-31-18-7-5-14-27(31)3)32-20-19-28-15-8-9-17-30(28)23-32/h4-5,7-15,17-21,23H,1,6,16,22,24H2,2-3H3/b12-10-,21-11-
InChIKeyZXRQMYJHQUIQJH-KTAAYRPZSA-N
XLogP8.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-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

ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene
CID 142315651
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795799
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
CID 44719349
1-N-methyl-2-N-naphthalen-2-yl-2-N-[(1E,3Z)-1-naphthalen-2-ylhexa-1,3,5-trienyl]cyclohexa-1,3-diene-1,2-diamine
CID 129074764
1-methyl-1-[(2-methylphenyl)methyl]-3-naphthalen-2-ylurea
CID 78871918
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 86028064
N-(2-ethyl-6-methylphenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593113
N-methyl-N-oxidonaphthalen-2-amine
CID 163543073
N-methyl-N-[(2-methylphenyl)methyl]ethenamine
CID 163372519
2-[[4-[2-(2-methylphenyl)ethyl]phenyl]methyl-(naphthalen-2-ylmethyl)amino]acetonitrile
CID 142841765
N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-(1,2,7,8-tetrahydronaphthalen-2-yl)naphthalen-2-amine
CID 89139426

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine?
The IUPAC name of N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine (CID 142315652) is N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine?
The canonical SMILES for N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine is C=C(/C=C\C=C/N(Cc1ccccc1C)c1ccc2ccccc2c1)CC1=C(C)C=CCC1.
What is the InChIKey of N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine?
The InChIKey is ZXRQMYJHQUIQJH-KTAAYRPZSA-N. The full InChI is InChI=1S/C32H33N/c1-25(22-29-16-6-4-13-26(29)2)12-10-11-21-33(24-31-18-7-5-14-27(31)3)32-20-19-28-15-8-9-17-30(28)23-32/h4-5,7-15,17-21,23H,1,6,16,22,24H2,2-3H3/b12-10-,21-11-.
What are the key properties of N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine?
N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine has a molecular weight of 431.62 g/mol, XLogP of 8.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 142315652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).