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

C13H22N2 — CID 65377551

IUPAC3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine
SMILESCCC(C)C(CN)Nc1ccc(C)cc1
InChIInChI=1S/C13H22N2/c1-4-11(3)13(9-14)15-12-7-5-10(2)6-8-12/h5-8,11,13,15H,4,9,14H2,1-3H3
InChIKeyKAVRWUKUXBZFNR-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.78
Rot. Bonds5

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

3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine (PubChem CID 65377551) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine
PubChem CID65377551
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine
SMILESCCC(C)C(CN)Nc1ccc(C)cc1
InChIInChI=1S/C13H22N2/c1-4-11(3)13(9-14)15-12-7-5-10(2)6-8-12/h5-8,11,13,15H,4,9,14H2,1-3H3
InChIKeyKAVRWUKUXBZFNR-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-N-(4-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-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine
CID 65382983
2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine
CID 115137874
N-(1-methoxyethyl)-4-methylaniline
CID 174872064
1-N'-(4-methylphenyl)butane-1,1-diamine
CID 143703381
1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
CID 87484866
4,4-dimethoxy-2-N-(4-methylphenyl)butane-1,2-diamine
CID 66268435
diethyl-bis(4-methylanilino)phosphanium
CID 132582432
(2S)-3-methyl-2-N-phenylbutane-1,2-diamine
CID 25323651
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpentane-1,2-diamine
CID 116699186
4-amino-N,N-dimethyl-3-(4-methylanilino)butanamide
CID 66432895
4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
CID 164667835

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine (CID 65377551) is 3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine is CCC(C)C(CN)Nc1ccc(C)cc1.
What is the InChIKey of 3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine?
The InChIKey is KAVRWUKUXBZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-11(3)13(9-14)15-12-7-5-10(2)6-8-12/h5-8,11,13,15H,4,9,14H2,1-3H3.
What are the key properties of 3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine?
3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine is sourced from PubChem (CID 65377551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).