2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine

C11H26N2 — CID 115133048

IUPAC2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCCC(C)(C)CNC(C)(C)CNC
InChIInChI=1S/C11H26N2/c1-7-10(2,3)8-13-11(4,5)9-12-6/h12-13H,7-9H2,1-6H3
InChIKeyZFNLORXQGGRNFO-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.01
Rot. Bonds6

About 2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine

2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115133048) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115133048
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCCC(C)(C)CNC(C)(C)CNC
InChIInChI=1S/C11H26N2/c1-7-10(2,3)8-13-11(4,5)9-12-6/h12-13H,7-9H2,1-6H3
InChIKeyZFNLORXQGGRNFO-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Di-tert-butylethylenediamine
CID 77680
N,N'-Bis(2,4,4-trimethyl-2-pentyl)-ethylenediamine
CID 223882
N,N'-Bis(2-methyl-2-butyl)-ethylenediamine
CID 469905
1,2-Propanediamine, N(sup 2)-butyl-2-methyl-
CID 3039391
[(2S)-2-amino-3,3-dimethylbutyl]dimethylamine
CID 30428933
Bis(2-amino-2-methylpropyl)amine
CID 226845
N,N'-Bis(3,3-dimethyl-2-butyl)-ethylenediamine
CID 469908
N'-(1,1-dimethylpropyl)-N-isopropyl-ethane-1,2-diamine
CID 469914
2-Tert-butyl-1,4,7,10-tetrazacyclododecane
CID 44453868
Dibutadiamine
CID 15853
Ethyl(2,4,4-trimethylpentan-2-yl)amine
CID 10630769
Butane, 1-(2-aminoethyl)amino-2,2-bis(2-aminoethyl)aminomethyl-
CID 54010912

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine (CID 115133048) is 2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine is CCC(C)(C)CNC(C)(C)CNC.
What is the InChIKey of 2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is ZFNLORXQGGRNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-7-10(2,3)8-13-11(4,5)9-12-6/h12-13H,7-9H2,1-6H3.
What are the key properties of 2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine?
2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylbutyl)-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115133048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).