2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine

C13H22N2 — CID 65377999

IUPAC2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine
SMILESCCCC(C)(CN)Nc1ccccc1C
InChIInChI=1S/C13H22N2/c1-4-9-13(3,10-14)15-12-8-6-5-7-11(12)2/h5-8,15H,4,9-10,14H2,1-3H3
InChIKeyHXNSZDFHFRYGSK-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.92
Rot. Bonds5

About 2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine

2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine (PubChem CID 65377999) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine
PubChem CID65377999
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine
SMILESCCCC(C)(CN)Nc1ccccc1C
InChIInChI=1S/C13H22N2/c1-4-9-13(3,10-14)15-12-8-6-5-7-11(12)2/h5-8,15H,4,9-10,14H2,1-3H3
InChIKeyHXNSZDFHFRYGSK-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine 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

2-methyl-2-N-phenylpentane-1,2-diamine
CID 65379502
2-methyl-2-(2-methylanilino)propane-1,3-diol
CID 130509283
2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
CID 65376902
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
CID 111754129
2-(2-methylanilino)-2-phenylpentanamide
CID 60996445
2-methyl-2-(2-methylanilino)propan-1-ol
CID 61045872
ethyl 2-ethyl-2-(2-methylanilino)hexanoate
CID 63953248
CID 175798397
CID 175798397
2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine
CID 65378984
6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine
CID 116535345
methyl 2-methyl-2-(2-methylanilino)heptanoate
CID 80558078
3-(3-fluorophenyl)-2-methyl-2-(2-methylanilino)propan-1-ol
CID 114834179

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine (CID 65377999) is 2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine is CCCC(C)(CN)Nc1ccccc1C.
What is the InChIKey of 2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine?
The InChIKey is HXNSZDFHFRYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-9-13(3,10-14)15-12-8-6-5-7-11(12)2/h5-8,15H,4,9-10,14H2,1-3H3.
What are the key properties of 2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine?
2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine is sourced from PubChem (CID 65377999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).