N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide

C9H15N3 — CID 166750237

IUPACN-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide
SMILESC/C=C(C/C=N/C=N/C)\N=C\C
InChIInChI=1S/C9H15N3/c1-4-9(12-5-2)6-7-11-8-10-3/h4-5,7-8H,6H2,1-3H3/b9-4-,10-8+,11-7+,12-5+
InChIKeyVBOSLNNRRAPGEE-YTJIPEBZSA-N
MW165.24 g/mol
LogP2.10
Rot. Bonds4

About N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide

N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide (PubChem CID 166750237) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide
PubChem CID166750237
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide
SMILESC/C=C(C/C=N/C=N/C)\N=C\C
InChIInChI=1S/C9H15N3/c1-4-9(12-5-2)6-7-11-8-10-3/h4-5,7-8H,6H2,1-3H3/b9-4-,10-8+,11-7+,12-5+
InChIKeyVBOSLNNRRAPGEE-YTJIPEBZSA-N
XLogP2.10
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide?
The IUPAC name of N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide (CID 166750237) is N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide?
The canonical SMILES for N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide is C/C=C(C/C=N/C=N/C)\N=C\C.
What is the InChIKey of N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide?
The InChIKey is VBOSLNNRRAPGEE-YTJIPEBZSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-9(12-5-2)6-7-11-8-10-3/h4-5,7-8H,6H2,1-3H3/b9-4-,10-8+,11-7+,12-5+.
What are the key properties of N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide?
N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide has a molecular weight of 165.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(ethylideneamino)pent-3-enylidene]-N'-methylmethanimidamide is sourced from PubChem (CID 166750237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).