N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine

C15H26N2 — CID 115202638

IUPACN-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
SMILESCc1ccc(C)c(CN(C)CC(C)CCN)c1
InChIInChI=1S/C15H26N2/c1-12-5-6-14(3)15(9-12)11-17(4)10-13(2)7-8-16/h5-6,9,13H,7-8,10-11,16H2,1-4H3
InChIKeyVTCVBLFSIHZMRL-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.72
Rot. Bonds6

About N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine

N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine (PubChem CID 115202638) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
PubChem CID115202638
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
SMILESCc1ccc(C)c(CN(C)CC(C)CCN)c1
InChIInChI=1S/C15H26N2/c1-12-5-6-14(3)15(9-12)11-17(4)10-13(2)7-8-16/h5-6,9,13H,7-8,10-11,16H2,1-4H3
InChIKeyVTCVBLFSIHZMRL-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 62333578
N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251540
N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202640
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252120
N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202717
4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
CID 117039190
N-[(4-chlorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544192
N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117043979
[(2,5-dimethylphenyl)methyl-methylamino]methanethiol
CID 115228030
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]butanenitrile
CID 115253887
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine (CID 115202638) is N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine is Cc1ccc(C)c(CN(C)CC(C)CCN)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine?
The InChIKey is VTCVBLFSIHZMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-5-6-14(3)15(9-12)11-17(4)10-13(2)7-8-16/h5-6,9,13H,7-8,10-11,16H2,1-4H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine?
N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115202638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).