(E)-4,5-diaminopent-4-enenitrile

C5H9N3 — CID 129158264

IUPAC(E)-4,5-diaminopent-4-enenitrile
SMILESN#CCC/C(N)=C\N
InChIInChI=1S/C5H9N3/c6-3-1-2-5(8)4-7/h4H,1-2,7-8H2/b5-4+
InChIKeyDYOIGKPLFYPQPC-SNAWJCMRSA-N
MW111.15 g/mol
LogP0.05
Rot. Bonds2

About (E)-4,5-diaminopent-4-enenitrile

(E)-4,5-diaminopent-4-enenitrile (PubChem CID 129158264) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is (E)-4,5-diaminopent-4-enenitrile.

Molecular Properties

Compound Name(E)-4,5-diaminopent-4-enenitrile
PubChem CID129158264
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name(E)-4,5-diaminopent-4-enenitrile
SMILESN#CCC/C(N)=C\N
InChIInChI=1S/C5H9N3/c6-3-1-2-5(8)4-7/h4H,1-2,7-8H2/b5-4+
InChIKeyDYOIGKPLFYPQPC-SNAWJCMRSA-N
XLogP0.05
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-5-cyanopent-2-enoate
CID 86759162
carbamic acid;3-cyanopropanoic acid
CID 175385883
(Z)-4,5-diaminopent-4-en-1-ol
CID 145148062
10-cyanodecanamide
CID 87916786
(E)-dec-1-ene-1,2-diamine
CID 87327630
4-formylpent-4-enenitrile
CID 11083851
3-(2-cyanoethylsulfanyl)propanenitrile;thiourea
CID 161135172
[(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium
CID 165003988
(2E)-2-(aminomethylidene)pentanenitrile
CID 12751988
(Z)-3,4-diaminohex-3-enedinitrile
CID 55290904
3-[2,3,4,5,6-pentakis(2-cyanoethyl)cyclohexyl]propanenitrile
CID 166999538
3-[2,3,4-tris(2-cyanoethyl)cyclobutyl]propanenitrile
CID 166999311

Frequently Asked Questions

What is the IUPAC name of (E)-4,5-diaminopent-4-enenitrile?
The IUPAC name of (E)-4,5-diaminopent-4-enenitrile (CID 129158264) is (E)-4,5-diaminopent-4-enenitrile.
What is the SMILES notation for (E)-4,5-diaminopent-4-enenitrile?
The canonical SMILES for (E)-4,5-diaminopent-4-enenitrile is N#CCC/C(N)=C\N.
What is the InChIKey of (E)-4,5-diaminopent-4-enenitrile?
The InChIKey is DYOIGKPLFYPQPC-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9N3/c6-3-1-2-5(8)4-7/h4H,1-2,7-8H2/b5-4+.
What are the key properties of (E)-4,5-diaminopent-4-enenitrile?
(E)-4,5-diaminopent-4-enenitrile has a molecular weight of 111.15 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,5-diaminopent-4-enenitrile is sourced from PubChem (CID 129158264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).