1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine

C15H26N2 — CID 116905016

IUPAC1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
SMILESCc1ccc(C(CC(C)(C)N)N(C)C)cc1C
InChIInChI=1S/C15H26N2/c1-11-7-8-13(9-12(11)2)14(17(5)6)10-15(3,4)16/h7-9,14H,10,16H2,1-6H3
InChIKeyWIJASJNUIZJLMF-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.03
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine

1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine (PubChem CID 116905016) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
PubChem CID116905016
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
SMILESCc1ccc(C(CC(C)(C)N)N(C)C)cc1C
InChIInChI=1S/C15H26N2/c1-11-7-8-13(9-12(11)2)14(17(5)6)10-15(3,4)16/h7-9,14H,10,16H2,1-6H3
InChIKeyWIJASJNUIZJLMF-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine (CID 116905016) is 1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine is Cc1ccc(C(CC(C)(C)N)N(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The InChIKey is WIJASJNUIZJLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-7-8-13(9-12(11)2)14(17(5)6)10-15(3,4)16/h7-9,14H,10,16H2,1-6H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine is sourced from PubChem (CID 116905016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).