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

C15H26N2 — CID 115204385

IUPACN-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
SMILESCc1ccc(C)c(CNCC(C)(C)CCN)c1
InChIInChI=1S/C15H26N2/c1-12-5-6-13(2)14(9-12)10-17-11-15(3,4)7-8-16/h5-6,9,17H,7-8,10-11,16H2,1-4H3
InChIKeyGUKIWHLWXKJIPN-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.77
Rot. Bonds6

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

N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine (PubChem CID 115204385) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
PubChem CID115204385
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
SMILESCc1ccc(C)c(CNCC(C)(C)CCN)c1
InChIInChI=1S/C15H26N2/c1-12-5-6-13(2)14(9-12)10-17-11-15(3,4)7-8-16/h5-6,9,17H,7-8,10-11,16H2,1-4H3
InChIKeyGUKIWHLWXKJIPN-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(2,3,4-trimethylphenyl)methyl]butane-1,4-diamine
CID 115204464
4-[(2,5-dimethylphenyl)methylamino]-3,3-dimethylbutanoic acid
CID 115220317
2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol
CID 103708054
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204410
1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine
CID 115260731
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624967
N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198457
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 60658264
2-[(2,5-dimethylphenyl)methylamino]ethylurea
CID 83111203
5-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylpentan-1-amine
CID 114148941
1-N-[2-(2,5-dimethylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136100

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine (CID 115204385) is N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine is Cc1ccc(C)c(CNCC(C)(C)CCN)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
The InChIKey is GUKIWHLWXKJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-5-6-13(2)14(9-12)10-17-11-15(3,4)7-8-16/h5-6,9,17H,7-8,10-11,16H2,1-4H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115204385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).