(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride

C7H20Cl2N2 — CID 137346902

IUPAC(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride
SMILESCCN(CC)C[C@@H](C)N.Cl.Cl
InChIInChI=1S/C7H18N2.2ClH/c1-4-9(5-2)6-7(3)8;;/h7H,4-6,8H2,1-3H3;2*1H/t7-;;/m1../s1
InChIKeyKZYWGWPAKXMVPL-XCUBXKJBSA-N
MW203.16 g/mol
LogP1.52
Rot. Bonds4

About (2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride

(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride (PubChem CID 137346902) has the molecular formula C7H20Cl2N2 and a molecular weight of 203.16 g/mol. Its IUPAC name is (2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride
PubChem CID137346902
Molecular FormulaC7H20Cl2N2
Molecular Weight203.16 g/mol
Exact Mass202.10
IUPAC Name(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride
SMILESCCN(CC)C[C@@H](C)N.Cl.Cl
InChIInChI=1S/C7H18N2.2ClH/c1-4-9(5-2)6-7(3)8;;/h7H,4-6,8H2,1-3H3;2*1H/t7-;;/m1../s1
InChIKeyKZYWGWPAKXMVPL-XCUBXKJBSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
CID 103934531
(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,N-diethyl-2-hydrazinylpropan-1-amine
CID 55279029
(2R)-1-N,1-N-diethyl-4-methylpentane-1,2-diamine
CID 28596904
1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
CID 22731000
2-amino-3-(diethylamino)propan-1-ol
CID 57209208
1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 57251767
N,N-diethyl-2,3-dimethylbutan-1-amine;ethane
CID 144788920
CID 174643223
CID 174643223
2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride
CID 21140406

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride?
The IUPAC name of (2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride (CID 137346902) is (2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride.
What is the SMILES notation for (2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride?
The canonical SMILES for (2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride is CCN(CC)C[C@@H](C)N.Cl.Cl.
What is the InChIKey of (2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride?
The InChIKey is KZYWGWPAKXMVPL-XCUBXKJBSA-N. The full InChI is InChI=1S/C7H18N2.2ClH/c1-4-9(5-2)6-7(3)8;;/h7H,4-6,8H2,1-3H3;2*1H/t7-;;/m1../s1.
What are the key properties of (2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride?
(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride has a molecular weight of 203.16 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 137346902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).