2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine

C14H24N2 — CID 115595839

IUPAC2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
SMILESCCC(CNCc1ccccc1C)N(C)C
InChIInChI=1S/C14H24N2/c1-5-14(16(3)4)11-15-10-13-9-7-6-8-12(13)2/h6-9,14-15H,5,10-11H2,1-4H3
InChIKeyNSZARCLTHVGWDT-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.42
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine

2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine (PubChem CID 115595839) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
PubChem CID115595839
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
SMILESCCC(CNCc1ccccc1C)N(C)C
InChIInChI=1S/C14H24N2/c1-5-14(16(3)4)11-15-10-13-9-7-6-8-12(13)2/h6-9,14-15H,5,10-11H2,1-4H3
InChIKeyNSZARCLTHVGWDT-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol
CID 111118989
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
2-N,2-N-dimethyl-1-N-[(5-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 115595821
2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 63981721
1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 43823561
1-N-[(3-fluorophenyl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine;hydrochloride
CID 115595836
2-chloro-4-methyl-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107155964
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
2-amino-3-[(2-methylphenyl)methylamino]propanoic acid
CID 64583841
2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol
CID 43207997
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine (CID 115595839) is 2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine is CCC(CNCc1ccccc1C)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine?
The InChIKey is NSZARCLTHVGWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-14(16(3)4)11-15-10-13-9-7-6-8-12(13)2/h6-9,14-15H,5,10-11H2,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine?
2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 115595839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).