N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine

C15H26N2 — CID 112514390

IUPACN'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCc1cccc(CC)c1N(C)CC(C)CN
InChIInChI=1S/C15H26N2/c1-5-13-8-7-9-14(6-2)15(13)17(4)11-12(3)10-16/h7-9,12H,5-6,10-11,16H2,1-4H3
InChIKeyOTVVSDDBYGHSPP-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.84
Rot. Bonds6

About N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine

N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 112514390) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID112514390
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCc1cccc(CC)c1N(C)CC(C)CN
InChIInChI=1S/C15H26N2/c1-5-13-8-7-9-14(6-2)15(13)17(4)11-12(3)10-16/h7-9,12H,5-6,10-11,16H2,1-4H3
InChIKeyOTVVSDDBYGHSPP-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
CID 107105504
3-(2,6-diethyl-N-methylanilino)propan-1-ol
CID 117029253
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 62390906
4-(2,6-diethyl-N-methylanilino)butan-2-one
CID 117029527
2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 163258741
ethane;3-ethyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 142426314
N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62001860
N',2-dimethyl-N'-phthalazin-1-ylpropane-1,3-diamine
CID 54991707
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089
N',2-dimethyl-N'-(3-methylthiophen-2-yl)propane-1,3-diamine
CID 115198451

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine (CID 112514390) is N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine is CCc1cccc(CC)c1N(C)CC(C)CN.
What is the InChIKey of N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is OTVVSDDBYGHSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-13-8-7-9-14(6-2)15(13)17(4)11-12(3)10-16/h7-9,12H,5-6,10-11,16H2,1-4H3.
What are the key properties of N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine?
N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112514390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).