N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine

C14H24N2 — CID 81079446

IUPACN'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
SMILESCc1cc(C)cc(N(C)CCC(C)CN)c1
InChIInChI=1S/C14H24N2/c1-11(10-15)5-6-16(4)14-8-12(2)7-13(3)9-14/h7-9,11H,5-6,10,15H2,1-4H3
InChIKeyVVKOBZBOIJMADZ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.72
Rot. Bonds5

About N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine

N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine (PubChem CID 81079446) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
PubChem CID81079446
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
SMILESCc1cc(C)cc(N(C)CCC(C)CN)c1
InChIInChI=1S/C14H24N2/c1-11(10-15)5-6-16(4)14-8-12(2)7-13(3)9-14/h7-9,11H,5-6,10,15H2,1-4H3
InChIKeyVVKOBZBOIJMADZ-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62001860
N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203033
N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203086
N'-(3-fluoro-4-methoxyphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203044
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N',2-dimethylbutane-1,4-diamine
CID 115203053
N'-(3,5-dimethylphenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645408
1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63490120
2-(3-amino-N,5-dimethylanilino)ethanol
CID 112647088
N'-(4-fluorophenyl)-N',2-dimethylpentane-1,5-diamine
CID 82682682
(2R)-1-N-(3,5-dimethylphenyl)-1-N,4-dimethylpentane-1,2-diamine
CID 112736590
1-N-(3,5-dimethylphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66453644
5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
CID 82013924

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine (CID 81079446) is N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine is Cc1cc(C)cc(N(C)CCC(C)CN)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
The InChIKey is VVKOBZBOIJMADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(10-15)5-6-16(4)14-8-12(2)7-13(3)9-14/h7-9,11H,5-6,10,15H2,1-4H3.
What are the key properties of N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine?
N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 81079446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).