N-[(Z)-3-iminohex-4-enylidene]methanimidamide

C7H11N3 — CID 129106355

IUPACN-[(Z)-3-iminohex-4-enylidene]methanimidamide
SMILES[H]/N=C(\C=C/C)C/C=N/C=N/[H]
InChIInChI=1S/C7H11N3/c1-2-3-7(9)4-5-10-6-8/h2-3,5-6,8-9H,4H2,1H3/b3-2-,8-6+,9-7+,10-5+
InChIKeyFDLVODUTPTUGOV-GJFZJSTFSA-N
MW137.19 g/mol
LogP1.65
Rot. Bonds4

About N-[(Z)-3-iminohex-4-enylidene]methanimidamide

N-[(Z)-3-iminohex-4-enylidene]methanimidamide (PubChem CID 129106355) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-[(Z)-3-iminohex-4-enylidene]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-3-iminohex-4-enylidene]methanimidamide
PubChem CID129106355
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-[(Z)-3-iminohex-4-enylidene]methanimidamide
SMILES[H]/N=C(\C=C/C)C/C=N/C=N/[H]
InChIInChI=1S/C7H11N3/c1-2-3-7(9)4-5-10-6-8/h2-3,5-6,8-9H,4H2,1H3/b3-2-,8-6+,9-7+,10-5+
InChIKeyFDLVODUTPTUGOV-GJFZJSTFSA-N
XLogP1.65
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
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-iminohex-4-enylidene]methanimidamide?
The IUPAC name of N-[(Z)-3-iminohex-4-enylidene]methanimidamide (CID 129106355) is N-[(Z)-3-iminohex-4-enylidene]methanimidamide.
What is the SMILES notation for N-[(Z)-3-iminohex-4-enylidene]methanimidamide?
The canonical SMILES for N-[(Z)-3-iminohex-4-enylidene]methanimidamide is [H]/N=C(\C=C/C)C/C=N/C=N/[H].
What is the InChIKey of N-[(Z)-3-iminohex-4-enylidene]methanimidamide?
The InChIKey is FDLVODUTPTUGOV-GJFZJSTFSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-7(9)4-5-10-6-8/h2-3,5-6,8-9H,4H2,1H3/b3-2-,8-6+,9-7+,10-5+.
What are the key properties of N-[(Z)-3-iminohex-4-enylidene]methanimidamide?
N-[(Z)-3-iminohex-4-enylidene]methanimidamide has a molecular weight of 137.19 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-iminohex-4-enylidene]methanimidamide is sourced from PubChem (CID 129106355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).