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

C9H26N4 — CID 87673451

IUPACN'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine
SMILESCCNC(N)CC.CCNCCN
InChIInChI=1S/C5H14N2.C4H12N2/c1-3-5(6)7-4-2;1-2-6-4-3-5/h5,7H,3-4,6H2,1-2H3;6H,2-5H2,1H3
InChIKeyVSSGCFLQQREERB-UHFFFAOYSA-N
MW190.33 g/mol
LogP-0.15
Rot. Bonds6

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

N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine (PubChem CID 87673451) has the molecular formula C9H26N4 and a molecular weight of 190.33 g/mol. Its IUPAC name is N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine.

Molecular Properties

Compound NameN'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine
PubChem CID87673451
Molecular FormulaC9H26N4
Molecular Weight190.33 g/mol
Exact Mass190.22
IUPAC NameN'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine
SMILESCCNC(N)CC.CCNCCN
InChIInChI=1S/C5H14N2.C4H12N2/c1-3-5(6)7-4-2;1-2-6-4-3-5/h5,7H,3-4,6H2,1-2H3;6H,2-5H2,1H3
InChIKeyVSSGCFLQQREERB-UHFFFAOYSA-N
XLogP-0.15
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-ethylethane-1,2-diamine;hydrochloride
CID 19427140
N'-ethylethane-1,2-diamine;piperazine
CID 157289891
1-N'-butylpropane-1,1-diamine
CID 22184083
1-N'-decylpropane-1,1-diamine
CID 19822794
1-N-ethylhexane-1,4-diamine
CID 88709722
1-N,3-diethylpentane-1,4-diamine
CID 155203399
N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 130342854
acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 22253788
N'-(2-ethylbutyl)ethane-1,2-diamine
CID 59135539
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
N',2-diethylbutane-1,4-diamine
CID 81080470
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984

Frequently Asked Questions

What is the IUPAC name of N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine?
The IUPAC name of N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine (CID 87673451) is N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine.
What is the SMILES notation for N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine?
The canonical SMILES for N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine is CCNC(N)CC.CCNCCN.
What is the InChIKey of N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine?
The InChIKey is VSSGCFLQQREERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C4H12N2/c1-3-5(6)7-4-2;1-2-6-4-3-5/h5,7H,3-4,6H2,1-2H3;6H,2-5H2,1H3.
What are the key properties of N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine?
N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine has a molecular weight of 190.33 g/mol, XLogP of -0.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylethane-1,2-diamine;1-N'-ethylpropane-1,1-diamine is sourced from PubChem (CID 87673451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).