[(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium

C6H11N4+ — CID 165003988

IUPAC[(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium
SMILESN#CCCN/C=C\C(N)=[NH2+]
InChIInChI=1S/C6H10N4/c7-3-1-4-10-5-2-6(8)9/h2,5,10H,1,4H2,(H3,8,9)/p+1/b5-2-
InChIKeyIRMCJSQQULYWHG-DJWKRKHSSA-O
MW139.18 g/mol
LogP-1.88
Rot. Bonds4

About [(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium

[(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium (PubChem CID 165003988) has the molecular formula C6H11N4+ and a molecular weight of 139.18 g/mol. Its IUPAC name is [(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium.

Molecular Properties

Compound Name[(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium
PubChem CID165003988
Molecular FormulaC6H11N4+
Molecular Weight139.18 g/mol
Exact Mass139.10
IUPAC Name[(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium
SMILESN#CCCN/C=C\C(N)=[NH2+]
InChIInChI=1S/C6H10N4/c7-3-1-4-10-5-2-6(8)9/h2,5,10H,1,4H2,(H3,8,9)/p+1/b5-2-
InChIKeyIRMCJSQQULYWHG-DJWKRKHSSA-O
XLogP-1.88
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[[(E)-2-(2-cyanoethylamino)ethenyl]amino]propanenitrile
CID 21115448
(Z)-3-(cyanomethylamino)prop-2-enimidamide
CID 167310395
3-[[(E)-hept-1-enyl]amino]propanenitrile
CID 101282817
3-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]propanenitrile
CID 142482548
3-(2-cyanoethylamino)propanenitrile
CID 160846337
4-(2-cyanoethylamino)-4-oxobut-2-enoic acid
CID 57301096
1-amino-3-(2-cyanoethyl)thiourea
CID 55280354
3-cyanopropylurea
CID 62667023
[2-(2-cyanoethylamino)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 8020916
(E)-4,5-diaminopent-4-enenitrile
CID 129158264
2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide
CID 61219041
1-cyano-4-(sulfamoylamino)butane
CID 112689559

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium?
The IUPAC name of [(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium (CID 165003988) is [(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium.
What is the SMILES notation for [(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium?
The canonical SMILES for [(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium is N#CCCN/C=C\C(N)=[NH2+].
What is the InChIKey of [(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium?
The InChIKey is IRMCJSQQULYWHG-DJWKRKHSSA-O. The full InChI is InChI=1S/C6H10N4/c7-3-1-4-10-5-2-6(8)9/h2,5,10H,1,4H2,(H3,8,9)/p+1/b5-2-.
What are the key properties of [(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium?
[(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium has a molecular weight of 139.18 g/mol, XLogP of -1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-amino-3-(2-cyanoethylamino)prop-2-enylidene]azanium is sourced from PubChem (CID 165003988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).