N"-[(3-methylphenyl)methyl]methanetriamine

C9H15N3 — CID 144552123

IUPACN"-[(3-methylphenyl)methyl]methanetriamine
SMILESCc1cccc(CNC(N)N)c1
InChIInChI=1S/C9H15N3/c1-7-3-2-4-8(5-7)6-12-9(10)11/h2-5,9,12H,6,10-11H2,1H3
InChIKeyZBTPJVSCIUUYFY-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.29
Rot. Bonds3

About N"-[(3-methylphenyl)methyl]methanetriamine

N"-[(3-methylphenyl)methyl]methanetriamine (PubChem CID 144552123) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N"-[(3-methylphenyl)methyl]methanetriamine.

Molecular Properties

Compound NameN"-[(3-methylphenyl)methyl]methanetriamine
PubChem CID144552123
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN"-[(3-methylphenyl)methyl]methanetriamine
SMILESCc1cccc(CNC(N)N)c1
InChIInChI=1S/C9H15N3/c1-7-3-2-4-8(5-7)6-12-9(10)11/h2-5,9,12H,6,10-11H2,1H3
InChIKeyZBTPJVSCIUUYFY-UHFFFAOYSA-N
XLogP0.29
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N"-[(3-methylphenyl)methyl]methanetriamine 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

3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 106345275
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
ethyl 2-[(3-methylphenyl)methylamino]butanoate
CID 64669137
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43080790
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine bromide
CID 53314010
(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 97051534
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 75356495
1-ethylsulfanyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 115660780

Frequently Asked Questions

What is the IUPAC name of N"-[(3-methylphenyl)methyl]methanetriamine?
The IUPAC name of N"-[(3-methylphenyl)methyl]methanetriamine (CID 144552123) is N"-[(3-methylphenyl)methyl]methanetriamine.
What is the SMILES notation for N"-[(3-methylphenyl)methyl]methanetriamine?
The canonical SMILES for N"-[(3-methylphenyl)methyl]methanetriamine is Cc1cccc(CNC(N)N)c1.
What is the InChIKey of N"-[(3-methylphenyl)methyl]methanetriamine?
The InChIKey is ZBTPJVSCIUUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-3-2-4-8(5-7)6-12-9(10)11/h2-5,9,12H,6,10-11H2,1H3.
What are the key properties of N"-[(3-methylphenyl)methyl]methanetriamine?
N"-[(3-methylphenyl)methyl]methanetriamine has a molecular weight of 165.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N"-[(3-methylphenyl)methyl]methanetriamine is sourced from PubChem (CID 144552123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).