N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide

C8H13N3 — CID 129239004

IUPACN'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide
SMILESC=C/N=C/N=C/N=C/C(C)C
InChIInChI=1S/C8H13N3/c1-4-9-6-11-7-10-5-8(2)3/h4-8H,1H2,2-3H3/b9-6+,10-5+,11-7+
InChIKeyGWVHVWRPDUKMJG-QZFBNICWSA-N
MW151.21 g/mol
LogP1.91
Rot. Bonds4

About N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide

N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide (PubChem CID 129239004) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide
PubChem CID129239004
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide
SMILESC=C/N=C/N=C/N=C/C(C)C
InChIInChI=1S/C8H13N3/c1-4-9-6-11-7-10-5-8(2)3/h4-8H,1H2,2-3H3/b9-6+,10-5+,11-7+
InChIKeyGWVHVWRPDUKMJG-QZFBNICWSA-N
XLogP1.91
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide?
The IUPAC name of N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide (CID 129239004) is N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide.
What is the SMILES notation for N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide?
The canonical SMILES for N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide is C=C/N=C/N=C/N=C/C(C)C.
What is the InChIKey of N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide?
The InChIKey is GWVHVWRPDUKMJG-QZFBNICWSA-N. The full InChI is InChI=1S/C8H13N3/c1-4-9-6-11-7-10-5-8(2)3/h4-8H,1H2,2-3H3/b9-6+,10-5+,11-7+.
What are the key properties of N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide?
N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide has a molecular weight of 151.21 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-[(2-methylpropylideneamino)methylidene]methanimidamide is sourced from PubChem (CID 129239004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).