4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine

C14H24N2 — CID 64706789

IUPAC4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine
SMILESCc1ccccc1CN(C)C(C)CC(C)N
InChIInChI=1S/C14H24N2/c1-11-7-5-6-8-14(11)10-16(4)13(3)9-12(2)15/h5-8,12-13H,9-10,15H2,1-4H3
InChIKeyPPDHIIXGEXMNRU-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.55
Rot. Bonds5

About 4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine

4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine (PubChem CID 64706789) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine
PubChem CID64706789
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine
SMILESCc1ccccc1CN(C)C(C)CC(C)N
InChIInChI=1S/C14H24N2/c1-11-7-5-6-8-14(11)10-16(4)13(3)9-12(2)15/h5-8,12-13H,9-10,15H2,1-4H3
InChIKeyPPDHIIXGEXMNRU-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-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

3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine
CID 61411459
3-[methyl-[(2-methylphenyl)methyl]amino]butanenitrile
CID 61360593
3-[methyl-[(2-methylphenyl)methyl]amino]butanehydrazide
CID 55214054
4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
CID 63585520
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62462960
1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
CID 55072438
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
1-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 134022614
2-[methyl-[(2-methylphenyl)methyl]amino]butanamide
CID 55211748
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
1-N-cyclopentyl-2-N-methyl-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 62569436
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine (CID 64706789) is 4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine is Cc1ccccc1CN(C)C(C)CC(C)N.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine?
The InChIKey is PPDHIIXGEXMNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-7-5-6-8-14(11)10-16(4)13(3)9-12(2)15/h5-8,12-13H,9-10,15H2,1-4H3.
What are the key properties of 4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine?
4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine is sourced from PubChem (CID 64706789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).