N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine

C15H26N2 — CID 116949089

IUPACN,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
SMILESCNC(c1ccc(C)c(C)c1C)C(C)(C)CN
InChIInChI=1S/C15H26N2/c1-10-7-8-13(12(3)11(10)2)14(17-6)15(4,5)9-16/h7-8,14,17H,9,16H2,1-6H3
InChIKeyGWWDYFGYJUWJMK-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.86
Rot. Bonds4

About N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine

N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine (PubChem CID 116949089) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
PubChem CID116949089
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
SMILESCNC(c1ccc(C)c(C)c1C)C(C)(C)CN
InChIInChI=1S/C15H26N2/c1-10-7-8-13(12(3)11(10)2)14(17-6)15(4,5)9-16/h7-8,14,17H,9,16H2,1-6H3
InChIKeyGWWDYFGYJUWJMK-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(methylamino)-3-(2,3,4-trimethylphenyl)propanenitrile
CID 116955783
1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949958
N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905769
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
N,2,2-trimethyl-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 116949010
2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 116938967
2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid
CID 116953757
N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960302
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
N,2,2-trimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
CID 116948977
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741
2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
CID 116957579

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
The IUPAC name of N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine (CID 116949089) is N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
The canonical SMILES for N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine is CNC(c1ccc(C)c(C)c1C)C(C)(C)CN.
What is the InChIKey of N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
The InChIKey is GWWDYFGYJUWJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-10-7-8-13(12(3)11(10)2)14(17-6)15(4,5)9-16/h7-8,14,17H,9,16H2,1-6H3.
What are the key properties of N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine?
N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116949089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).