(Z)-2-(pent-3-ynylideneamino)ethenamine

C7H10N2 — CID 134266100

IUPAC(Z)-2-(pent-3-ynylideneamino)ethenamine
SMILESCC#CC/C=N/C=C\N
InChIInChI=1S/C7H10N2/c1-2-3-4-6-9-7-5-8/h5-7H,4,8H2,1H3/b7-5-,9-6+
InChIKeyYIDJJYPJIBHKOS-XCZNYUDNSA-N
MW122.17 g/mol
LogP0.90
Rot. Bonds2

About (Z)-2-(pent-3-ynylideneamino)ethenamine

(Z)-2-(pent-3-ynylideneamino)ethenamine (PubChem CID 134266100) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (Z)-2-(pent-3-ynylideneamino)ethenamine.

Molecular Properties

Compound Name(Z)-2-(pent-3-ynylideneamino)ethenamine
PubChem CID134266100
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(Z)-2-(pent-3-ynylideneamino)ethenamine
SMILESCC#CC/C=N/C=C\N
InChIInChI=1S/C7H10N2/c1-2-3-4-6-9-7-5-8/h5-7H,4,8H2,1H3/b7-5-,9-6+
InChIKeyYIDJJYPJIBHKOS-XCZNYUDNSA-N
XLogP0.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(pent-3-ynylideneamino)ethenamine?
The IUPAC name of (Z)-2-(pent-3-ynylideneamino)ethenamine (CID 134266100) is (Z)-2-(pent-3-ynylideneamino)ethenamine.
What is the SMILES notation for (Z)-2-(pent-3-ynylideneamino)ethenamine?
The canonical SMILES for (Z)-2-(pent-3-ynylideneamino)ethenamine is CC#CC/C=N/C=C\N.
What is the InChIKey of (Z)-2-(pent-3-ynylideneamino)ethenamine?
The InChIKey is YIDJJYPJIBHKOS-XCZNYUDNSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-3-4-6-9-7-5-8/h5-7H,4,8H2,1H3/b7-5-,9-6+.
What are the key properties of (Z)-2-(pent-3-ynylideneamino)ethenamine?
(Z)-2-(pent-3-ynylideneamino)ethenamine has a molecular weight of 122.17 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(pent-3-ynylideneamino)ethenamine is sourced from PubChem (CID 134266100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).