4-ethenyliminopent-2-ene-2,3-diamine

C7H13N3 — CID 152822158

IUPAC4-ethenyliminopent-2-ene-2,3-diamine
SMILESC=C/N=C(\C)C(N)=C(C)N
InChIInChI=1S/C7H13N3/c1-4-10-6(3)7(9)5(2)8/h4H,1,8-9H2,2-3H3/b7-5?,10-6+
InChIKeyNGRSQGXIVRCECP-DZZONASISA-N
MW139.20 g/mol
LogP0.74
Rot. Bonds2

About 4-ethenyliminopent-2-ene-2,3-diamine

4-ethenyliminopent-2-ene-2,3-diamine (PubChem CID 152822158) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-ethenyliminopent-2-ene-2,3-diamine.

Molecular Properties

Compound Name4-ethenyliminopent-2-ene-2,3-diamine
PubChem CID152822158
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-ethenyliminopent-2-ene-2,3-diamine
SMILESC=C/N=C(\C)C(N)=C(C)N
InChIInChI=1S/C7H13N3/c1-4-10-6(3)7(9)5(2)8/h4H,1,8-9H2,2-3H3/b7-5?,10-6+
InChIKeyNGRSQGXIVRCECP-DZZONASISA-N
XLogP0.74
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene
CID 142067318
(E)-N'-ethenyl-3-fluorobut-2-enimidamide
CID 142337031
2-(but-3-en-2-ylideneamino)ethene-1,1-diamine
CID 126596280
3-N,4-N-bis(ethenyl)-2,2,5,5-tetramethylhexane-3,4-diimine
CID 146577227
N'-ethenyl-N-methoxyethanimidamide
CID 91299645
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
3-methylpenta-2,4-dien-2-amine
CID 141358440
ethyl N-ethenylprop-2-enimidate
CID 143813400
N'-ethenyl-2,2,2-trifluoroethanimidamide
CID 134560294
(Z)-2-N-ethenylhept-4-ene-2,3,6-triimine
CID 143616909
methyl (E)-2-amino-N-ethenylbut-2-enimidate
CID 143656646
N'-ethenyl-2-methylbutanimidamide
CID 155258668

Frequently Asked Questions

What is the IUPAC name of 4-ethenyliminopent-2-ene-2,3-diamine?
The IUPAC name of 4-ethenyliminopent-2-ene-2,3-diamine (CID 152822158) is 4-ethenyliminopent-2-ene-2,3-diamine.
What is the SMILES notation for 4-ethenyliminopent-2-ene-2,3-diamine?
The canonical SMILES for 4-ethenyliminopent-2-ene-2,3-diamine is C=C/N=C(\C)C(N)=C(C)N.
What is the InChIKey of 4-ethenyliminopent-2-ene-2,3-diamine?
The InChIKey is NGRSQGXIVRCECP-DZZONASISA-N. The full InChI is InChI=1S/C7H13N3/c1-4-10-6(3)7(9)5(2)8/h4H,1,8-9H2,2-3H3/b7-5?,10-6+.
What are the key properties of 4-ethenyliminopent-2-ene-2,3-diamine?
4-ethenyliminopent-2-ene-2,3-diamine has a molecular weight of 139.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyliminopent-2-ene-2,3-diamine is sourced from PubChem (CID 152822158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).