2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine

C11H26N2 — CID 62835035

IUPAC2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
SMILESCCNC(C)(C)CNCC(C)CC
InChIInChI=1S/C11H26N2/c1-6-10(3)8-12-9-11(4,5)13-7-2/h10,12-13H,6-9H2,1-5H3
InChIKeyLDIOGFQOSZRYMR-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.01
Rot. Bonds7

About 2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine

2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine (PubChem CID 62835035) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
PubChem CID62835035
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
SMILESCCNC(C)(C)CNCC(C)CC
InChIInChI=1S/C11H26N2/c1-6-10(3)8-12-9-11(4,5)13-7-2/h10,12-13H,6-9H2,1-5H3
InChIKeyLDIOGFQOSZRYMR-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 134313991
N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine
CID 163239092
2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
CID 115326129
2-cyclopropyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 62692906
2-methyl-2-(2-methylbutylamino)propan-1-ol
CID 43207248
methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate
CID 104644413
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine
CID 101446483
2-methyl-2-(2-methylbutylamino)propane-1,3-diol
CID 75525332
(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
CID 59084986
3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904680
2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine
CID 65041307

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine (CID 62835035) is 2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine is CCNC(C)(C)CNCC(C)CC.
What is the InChIKey of 2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine?
The InChIKey is LDIOGFQOSZRYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-10(3)8-12-9-11(4,5)13-7-2/h10,12-13H,6-9H2,1-5H3.
What are the key properties of 2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine?
2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 62835035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).