2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine

C15H26N2 — CID 18804091

IUPAC2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine
SMILESCc1ccc(CNCC(C(C)C)N(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(2)15(17(4)5)11-16-10-14-8-6-13(3)7-9-14/h6-9,12,15-16H,10-11H2,1-5H3
InChIKeyLEPNOKOLXPHENA-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.67
Rot. Bonds6

About 2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine (PubChem CID 18804091) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine
PubChem CID18804091
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine
SMILESCc1ccc(CNCC(C(C)C)N(C)C)cc1
InChIInChI=1S/C15H26N2/c1-12(2)15(17(4)5)11-16-10-14-8-6-13(3)7-9-14/h6-9,12,15-16H,10-11H2,1-5H3
InChIKeyLEPNOKOLXPHENA-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol
CID 43205412
1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205416
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43105468
1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205421
1-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81002469
1-N-[(3-chloro-4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81144020
1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43431597
2-N,2-N,3-trimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]butane-1,2-diamine
CID 63051526
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205422
1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205575
1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109817

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine (CID 18804091) is 2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine is Cc1ccc(CNCC(C(C)C)N(C)C)cc1.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
The InChIKey is LEPNOKOLXPHENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)15(17(4)5)11-16-10-14-8-6-13(3)7-9-14/h6-9,12,15-16H,10-11H2,1-5H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.67, 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,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 18804091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).