N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide

C8H14N2 — CID 123712330

IUPACN-methylidene-N'-(4-methylpent-1-enyl)methanimidamide
SMILESC=N/C=N/C=CCC(C)C
InChIInChI=1S/C8H14N2/c1-8(2)5-4-6-10-7-9-3/h4,6-8H,3,5H2,1-2H3/b6-4?,10-7+
InChIKeyGUMOUQZTKRPFFC-DLPYHVJQSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds4

About N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide

N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide (PubChem CID 123712330) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-(4-methylpent-1-enyl)methanimidamide
PubChem CID123712330
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-methylidene-N'-(4-methylpent-1-enyl)methanimidamide
SMILESC=N/C=N/C=CCC(C)C
InChIInChI=1S/C8H14N2/c1-8(2)5-4-6-10-7-9-3/h4,6-8H,3,5H2,1-2H3/b6-4?,10-7+
InChIKeyGUMOUQZTKRPFFC-DLPYHVJQSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
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-methylidene-N'-(4-methylpent-1-enyl)methanimidamide?
The IUPAC name of N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide (CID 123712330) is N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide.
What is the SMILES notation for N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide?
The canonical SMILES for N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide is C=N/C=N/C=CCC(C)C.
What is the InChIKey of N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide?
The InChIKey is GUMOUQZTKRPFFC-DLPYHVJQSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2)5-4-6-10-7-9-3/h4,6-8H,3,5H2,1-2H3/b6-4?,10-7+.
What are the key properties of N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide?
N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-(4-methylpent-1-enyl)methanimidamide is sourced from PubChem (CID 123712330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).