1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine

C32H52N2 — CID 69085127

IUPAC1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine
SMILESCCCCCN(CCCCC)c1cccc(-c2ccccc2)c1N(CCCCC)CCCCC
InChIInChI=1S/C32H52N2/c1-5-9-16-25-33(26-17-10-6-2)31-24-20-23-30(29-21-14-13-15-22-29)32(31)34(27-18-11-7-3)28-19-12-8-4/h13-15,20-24H,5-12,16-19,25-28H2,1-4H3
InChIKeyWGSWBXCTSMBXFN-UHFFFAOYSA-N
MW464.78 g/mol
LogP9.73
Rot. Bonds19

About 1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine

1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine (PubChem CID 69085127) has the molecular formula C32H52N2 and a molecular weight of 464.78 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine
PubChem CID69085127
Molecular FormulaC32H52N2
Molecular Weight464.78 g/mol
Exact Mass464.41
IUPAC Name1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine
SMILESCCCCCN(CCCCC)c1cccc(-c2ccccc2)c1N(CCCCC)CCCCC
InChIInChI=1S/C32H52N2/c1-5-9-16-25-33(26-17-10-6-2)31-24-20-23-30(29-21-14-13-15-22-29)32(31)34(27-18-11-7-3)28-19-12-8-4/h13-15,20-24H,5-12,16-19,25-28H2,1-4H3
InChIKeyWGSWBXCTSMBXFN-UHFFFAOYSA-N
XLogP9.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 59.73
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

2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline
CID 126582498
2,3-bis(dipentylamino)phenol
CID 67225665
4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine
CID 67741411
[2,3-bis[di(undecyl)amino]phenyl]-phenylmethanone
CID 18366238
1-(dipentylamino)anthracene-9,10-dione
CID 70291028
2-(dioctadecylamino)phenol
CID 67178725
N,N-didecyl-9H-fluoren-1-amine
CID 151349271
2-chloro-N,N-dihexylaniline
CID 139723528
4-N,4-N,5-N,5-N-tetraheptyl-9H-fluorene-4,5-diamine
CID 67058500
N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)-2-phenylaniline
CID 141039661
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine (CID 69085127) is 1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine is CCCCCN(CCCCC)c1cccc(-c2ccccc2)c1N(CCCCC)CCCCC.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine?
The InChIKey is WGSWBXCTSMBXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N2/c1-5-9-16-25-33(26-17-10-6-2)31-24-20-23-30(29-21-14-13-15-22-29)32(31)34(27-18-11-7-3)28-19-12-8-4/h13-15,20-24H,5-12,16-19,25-28H2,1-4H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine?
1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine has a molecular weight of 464.78 g/mol, XLogP of 9.73, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine is sourced from PubChem (CID 69085127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).