3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine

C15H26N2 — CID 115134562

IUPAC3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine
SMILESCc1cc(C)c(N(C)C(C)(C)CCN)c(C)c1
InChIInChI=1S/C15H26N2/c1-11-9-12(2)14(13(3)10-11)17(6)15(4,5)7-8-16/h9-10H,7-8,16H2,1-6H3
InChIKeyGBGFSVKQPZVUDW-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.18
Rot. Bonds4

About 3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine

3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine (PubChem CID 115134562) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine
PubChem CID115134562
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine
SMILESCc1cc(C)c(N(C)C(C)(C)CCN)c(C)c1
InChIInChI=1S/C15H26N2/c1-11-9-12(2)14(13(3)10-11)17(6)15(4,5)7-8-16/h9-10H,7-8,16H2,1-6H3
InChIKeyGBGFSVKQPZVUDW-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
CID 116905673
3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134569
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134535
N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 20780242
N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204284
3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134633
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953
N-[[4-(aminomethyl)phenyl]methyl]-N,2,4,6-tetramethylaniline
CID 115213175
N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine
CID 154218779
2-N-(4-methoxy-2,3,6-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131845
3-N-(3-chloro-4-fluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134602

Frequently Asked Questions

What is the IUPAC name of 3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine?
The IUPAC name of 3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine (CID 115134562) is 3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine.
What is the SMILES notation for 3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine?
The canonical SMILES for 3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine is Cc1cc(C)c(N(C)C(C)(C)CCN)c(C)c1.
What is the InChIKey of 3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine?
The InChIKey is GBGFSVKQPZVUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-9-12(2)14(13(3)10-11)17(6)15(4,5)7-8-16/h9-10H,7-8,16H2,1-6H3.
What are the key properties of 3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine?
3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine is sourced from PubChem (CID 115134562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).