(2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine

C11H26N2 — CID 103934531

IUPAC(2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
SMILESCCC(CC)CN(CC)C[C@@H](C)N
InChIInChI=1S/C11H26N2/c1-5-11(6-2)9-13(7-3)8-10(4)12/h10-11H,5-9,12H2,1-4H3/t10-/m1/s1
InChIKeyKMECUOGKNYESNH-SNVBAGLBSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds7

About (2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine

(2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine (PubChem CID 103934531) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is (2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
PubChem CID103934531
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name(2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
SMILESCCC(CC)CN(CC)C[C@@H](C)N
InChIInChI=1S/C11H26N2/c1-5-11(6-2)9-13(7-3)8-10(4)12/h10-11H,5-9,12H2,1-4H3/t10-/m1/s1
InChIKeyKMECUOGKNYESNH-SNVBAGLBSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride
CID 137346902
2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile
CID 63028708
3-[ethyl(2-ethylbutyl)amino]-2-methylpropanimidamide
CID 61437175
N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63491213
(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 103934538
N,N-diethylethanamine;propan-2-amine
CID 19095085
1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 18411129
N'-(2-ethylbutyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 82928107
N,N-diethyl-2-(phosphanylmethyl)butan-1-amine
CID 59972215
3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol
CID 64899898
N',2-diethyl-N'-(2-ethylbutyl)-2-methylpropane-1,3-diamine
CID 62261128
1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43650469

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine?
The IUPAC name of (2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine (CID 103934531) is (2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine is CCC(CC)CN(CC)C[C@@H](C)N.
What is the InChIKey of (2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine?
The InChIKey is KMECUOGKNYESNH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-11(6-2)9-13(7-3)8-10(4)12/h10-11H,5-9,12H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine?
(2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine is sourced from PubChem (CID 103934531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).