N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine

C13H22N2 — CID 115198457

IUPACN'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
SMILESCc1ccc(C)c(CNCC(C)CN)c1
InChIInChI=1S/C13H22N2/c1-10-4-5-12(3)13(6-10)9-15-8-11(2)7-14/h4-6,11,15H,7-9,14H2,1-3H3
InChIKeyNCEGJIDBQHWNDS-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.99
Rot. Bonds5

About N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine

N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine (PubChem CID 115198457) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
PubChem CID115198457
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
SMILESCc1ccc(C)c(CNCC(C)CN)c1
InChIInChI=1S/C13H22N2/c1-10-4-5-12(3)13(6-10)9-15-8-11(2)7-14/h4-6,11,15H,7-9,14H2,1-3H3
InChIKeyNCEGJIDBQHWNDS-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-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

1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol
CID 115630684
4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide
CID 115156350
2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115198487
N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202717
1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine
CID 115260731
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N'-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252463
2-chloro-N-[(2,5-dimethylphenyl)methyl]-3-methoxypropan-1-amine
CID 65023585
N'-[2-(5-bromo-2-methylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198789
2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 115121335
N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204385

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine?
The IUPAC name of N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine (CID 115198457) is N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine is Cc1ccc(C)c(CNCC(C)CN)c1.
What is the InChIKey of N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine?
The InChIKey is NCEGJIDBQHWNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-4-5-12(3)13(6-10)9-15-8-11(2)7-14/h4-6,11,15H,7-9,14H2,1-3H3.
What are the key properties of N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine?
N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115198457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).