4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine

C34H56N2 — CID 67741411

IUPAC4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine
SMILESCCCCCN(CCCCC)c1ccc(C)c(-c2ccccc2C)c1N(CCCCC)CCCCC
InChIInChI=1S/C34H56N2/c1-7-11-17-25-35(26-18-12-8-2)32-24-23-30(6)33(31-22-16-15-21-29(31)5)34(32)36(27-19-13-9-3)28-20-14-10-4/h15-16,21-24H,7-14,17-20,25-28H2,1-6H3
InChIKeyLZIOLTDLHCSQKU-UHFFFAOYSA-N
MW492.84 g/mol
LogP10.34
Rot. Bonds19

About 4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine

4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine (PubChem CID 67741411) has the molecular formula C34H56N2 and a molecular weight of 492.84 g/mol. Its IUPAC name is 4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine
PubChem CID67741411
Molecular FormulaC34H56N2
Molecular Weight492.84 g/mol
Exact Mass492.44
IUPAC Name4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine
SMILESCCCCCN(CCCCC)c1ccc(C)c(-c2ccccc2C)c1N(CCCCC)CCCCC
InChIInChI=1S/C34H56N2/c1-7-11-17-25-35(26-18-12-8-2)32-24-23-30(6)33(31-22-16-15-21-29(31)5)34(32)36(27-19-13-9-3)28-20-14-10-4/h15-16,21-24H,7-14,17-20,25-28H2,1-6H3
InChIKeyLZIOLTDLHCSQKU-UHFFFAOYSA-N
XLogP10.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.84
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine
CID 69085127
2,3-bis(dipentylamino)phenol
CID 67225665
N,N-dibutyl-2,6-dimethylaniline
CID 100917562
2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline
CID 126582498
1-(dipentylamino)anthracene-9,10-dione
CID 70291028
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
2-(dioctadecylamino)phenol
CID 67178725
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 161180059
2-chloro-N,N-dihexylaniline
CID 139723528
3-(N-heptyl-2,6-dimethylanilino)propanoic acid
CID 82319047
4-methyl-1-N,1-N-dioctylbenzene-1,2-diamine
CID 155149115

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine?
The IUPAC name of 4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine (CID 67741411) is 4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine.
What is the SMILES notation for 4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine?
The canonical SMILES for 4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine is CCCCCN(CCCCC)c1ccc(C)c(-c2ccccc2C)c1N(CCCCC)CCCCC.
What is the InChIKey of 4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine?
The InChIKey is LZIOLTDLHCSQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N2/c1-7-11-17-25-35(26-18-12-8-2)32-24-23-30(6)33(31-22-16-15-21-29(31)5)34(32)36(27-19-13-9-3)28-20-14-10-4/h15-16,21-24H,7-14,17-20,25-28H2,1-6H3.
What are the key properties of 4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine?
4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine has a molecular weight of 492.84 g/mol, XLogP of 10.34, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine is sourced from PubChem (CID 67741411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).