(Z)-N-(methylideneamino)non-6-yn-3-imine

C10H16N2 — CID 123298321

IUPAC(Z)-N-(methylideneamino)non-6-yn-3-imine
SMILESC=N/N=C(/CC)CCC#CCC
InChIInChI=1S/C10H16N2/c1-4-6-7-8-9-10(5-2)12-11-3/h3-5,8-9H2,1-2H3/b12-10-
InChIKeyOQNQKEVTNPJDPG-BENRWUELSA-N
MW164.25 g/mol
LogP2.65
Rot. Bonds4

About (Z)-N-(methylideneamino)non-6-yn-3-imine

(Z)-N-(methylideneamino)non-6-yn-3-imine (PubChem CID 123298321) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (Z)-N-(methylideneamino)non-6-yn-3-imine.

Molecular Properties

Compound Name(Z)-N-(methylideneamino)non-6-yn-3-imine
PubChem CID123298321
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(Z)-N-(methylideneamino)non-6-yn-3-imine
SMILESC=N/N=C(/CC)CCC#CCC
InChIInChI=1S/C10H16N2/c1-4-6-7-8-9-10(5-2)12-11-3/h3-5,8-9H2,1-2H3/b12-10-
InChIKeyOQNQKEVTNPJDPG-BENRWUELSA-N
XLogP2.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(methylideneamino)non-6-yn-3-imine?
The IUPAC name of (Z)-N-(methylideneamino)non-6-yn-3-imine (CID 123298321) is (Z)-N-(methylideneamino)non-6-yn-3-imine.
What is the SMILES notation for (Z)-N-(methylideneamino)non-6-yn-3-imine?
The canonical SMILES for (Z)-N-(methylideneamino)non-6-yn-3-imine is C=N/N=C(/CC)CCC#CCC.
What is the InChIKey of (Z)-N-(methylideneamino)non-6-yn-3-imine?
The InChIKey is OQNQKEVTNPJDPG-BENRWUELSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-6-7-8-9-10(5-2)12-11-3/h3-5,8-9H2,1-2H3/b12-10-.
What are the key properties of (Z)-N-(methylideneamino)non-6-yn-3-imine?
(Z)-N-(methylideneamino)non-6-yn-3-imine has a molecular weight of 164.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(methylideneamino)non-6-yn-3-imine is sourced from PubChem (CID 123298321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).