N'-ethylethane-1,2-diamine;hydrochloride

C4H13ClN2 — CID 19427140

IUPACN'-ethylethane-1,2-diamine;hydrochloride
SMILESCCNCCN.Cl
InChIInChI=1S/C4H12N2.ClH/c1-2-6-4-3-5;/h6H,2-5H2,1H3;1H
InChIKeyGMHLTIMRWZTGEK-UHFFFAOYSA-N
MW124.62 g/mol
LogP-0.02
Rot. Bonds3

About N'-ethylethane-1,2-diamine;hydrochloride

N'-ethylethane-1,2-diamine;hydrochloride (PubChem CID 19427140) has the molecular formula C4H13ClN2 and a molecular weight of 124.62 g/mol. Its IUPAC name is N'-ethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-ethylethane-1,2-diamine;hydrochloride
PubChem CID19427140
Molecular FormulaC4H13ClN2
Molecular Weight124.62 g/mol
Exact Mass124.08
IUPAC NameN'-ethylethane-1,2-diamine;hydrochloride
SMILESCCNCCN.Cl
InChIInChI=1S/C4H12N2.ClH/c1-2-6-4-3-5;/h6H,2-5H2,1H3;1H
InChIKeyGMHLTIMRWZTGEK-UHFFFAOYSA-N
XLogP-0.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.62
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 157289891
acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
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N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine
CID 87673451
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
N-ethyl-2-fluoroethanamine;hydrochloride
CID 19832652
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984
N,N'-diethylpentane-1,5-diamine
CID 15013244
azane;N'-propylethane-1,2-diamine
CID 87476258
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
4-[4-(ethylamino)butoxy]butan-1-amine
CID 163399899

Frequently Asked Questions

What is the IUPAC name of N'-ethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-ethylethane-1,2-diamine;hydrochloride (CID 19427140) is N'-ethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-ethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-ethylethane-1,2-diamine;hydrochloride is CCNCCN.Cl.
What is the InChIKey of N'-ethylethane-1,2-diamine;hydrochloride?
The InChIKey is GMHLTIMRWZTGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.ClH/c1-2-6-4-3-5;/h6H,2-5H2,1H3;1H.
What are the key properties of N'-ethylethane-1,2-diamine;hydrochloride?
N'-ethylethane-1,2-diamine;hydrochloride has a molecular weight of 124.62 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 19427140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).