N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine

C15H34N2 — CID 62259060

IUPACN,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(CC)CN(CC)CC(C)(CC)CNC
InChIInChI=1S/C15H34N2/c1-7-14(8-2)11-17(10-4)13-15(5,9-3)12-16-6/h14,16H,7-13H2,1-6H3
InChIKeyOBYQOVPTTVYVAY-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.38
Rot. Bonds10

About N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine

N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 62259060) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID62259060
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(CC)CN(CC)CC(C)(CC)CNC
InChIInChI=1S/C15H34N2/c1-7-14(8-2)11-17(10-4)13-15(5,9-3)12-16-6/h14,16H,7-13H2,1-6H3
InChIKeyOBYQOVPTTVYVAY-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',2-diethyl-N'-(2-ethylbutyl)-2-methylpropane-1,3-diamine
CID 62261128
N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine
CID 63494621
N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79480297
2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62263389
N,N,2-triethyl-2-methylbutan-1-amine
CID 130442149
2-ethyl-4-fluoro-N,2-dimethylbutan-1-amine
CID 130640163
2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 62259798
N',2-dimethyl-N,N,2-tripropylpropane-1,3-diamine
CID 62264130
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
2-ethyl-N,N',2-trimethylbutane-1,4-diamine
CID 148591488
N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63482890
N,N',2-trimethyl-N'-(2-methylbutan-2-yl)-2-propylpropane-1,3-diamine
CID 63967395

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine (CID 62259060) is N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine is CCC(CC)CN(CC)CC(C)(CC)CNC.
What is the InChIKey of N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is OBYQOVPTTVYVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-14(8-2)11-17(10-4)13-15(5,9-3)12-16-6/h14,16H,7-13H2,1-6H3.
What are the key properties of N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine?
N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-(2-ethylbutyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62259060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).