4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine

C15H26N2 — CID 115126464

IUPAC4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine
SMILESCc1ccc(N)c(NCC(C)(C)CC(C)C)c1
InChIInChI=1S/C15H26N2/c1-11(2)9-15(4,5)10-17-14-8-12(3)6-7-13(14)16/h6-8,11,17H,9-10,16H2,1-5H3
InChIKeyIAGYMUXEUQPYHB-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.06
Rot. Bonds5

About 4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine

4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine (PubChem CID 115126464) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine
PubChem CID115126464
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine
SMILESCc1ccc(N)c(NCC(C)(C)CC(C)C)c1
InChIInChI=1S/C15H26N2/c1-11(2)9-15(4,5)10-17-14-8-12(3)6-7-13(14)16/h6-8,11,17H,9-10,16H2,1-5H3
InChIKeyIAGYMUXEUQPYHB-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]benzene-1,2-diamine
CID 115126473
4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine
CID 115126478
6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine
CID 115147791
4-methyl-2-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]benzene-1,2-diamine
CID 115126470
4-methyl-2-N-propylbenzene-1,2-diamine
CID 58056820
2-N-(2-aminoethyl)-4-methylbenzene-1,2-diamine
CID 23104425
4-(2-amino-4-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140671
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 106035268
4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
CID 106243145
4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
CID 115125181
5-(2-amino-5-methylanilino)pentanamide
CID 106234008
4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120121

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine (CID 115126464) is 4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine is Cc1ccc(N)c(NCC(C)(C)CC(C)C)c1.
What is the InChIKey of 4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine?
The InChIKey is IAGYMUXEUQPYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)9-15(4,5)10-17-14-8-12(3)6-7-13(14)16/h6-8,11,17H,9-10,16H2,1-5H3.
What are the key properties of 4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine?
4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(2,2,4-trimethylpentyl)benzene-1,2-diamine is sourced from PubChem (CID 115126464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).