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

C14H24N2 — CID 43211746

IUPAC2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
SMILESCCCC(CN)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H24N2/c1-4-5-14(10-15)16(3)11-13-8-6-12(2)7-9-13/h6-9,14H,4-5,10-11,15H2,1-3H3
InChIKeyVSIIMXQJAZKKAR-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.55
Rot. Bonds6

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

2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine (PubChem CID 43211746) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
PubChem CID43211746
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
SMILESCCCC(CN)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H24N2/c1-4-5-14(10-15)16(3)11-13-8-6-12(2)7-9-13/h6-9,14H,4-5,10-11,15H2,1-3H3
InChIKeyVSIIMXQJAZKKAR-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

2-N-methyl-2-N-[(4-methylphenyl)methyl]heptane-1,2-diamine
CID 43130465
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
2-N-methyl-2-N-[(4-methylphenyl)methyl]-5-methylsulfanylpentane-1,2-diamine
CID 103088584
1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 83043630
2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 61415296
4-[[hexan-3-yl(methyl)amino]methyl]aniline
CID 143173998
3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43102172
2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413577
2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide
CID 83047917
2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine
CID 62879729
1-(furan-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43211734
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine (CID 43211746) is 2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine is CCCC(CN)N(C)Cc1ccc(C)cc1.
What is the InChIKey of 2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
The InChIKey is VSIIMXQJAZKKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-5-14(10-15)16(3)11-13-8-6-12(2)7-9-13/h6-9,14H,4-5,10-11,15H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 43211746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).