N-methylidene-N'-pent-1-enylmethanimidamide

C7H12N2 — CID 123347539

IUPACN-methylidene-N'-pent-1-enylmethanimidamide
SMILESC=N/C=N/C=CCCC
InChIInChI=1S/C7H12N2/c1-3-4-5-6-9-7-8-2/h5-7H,2-4H2,1H3/b6-5?,9-7+
InChIKeyJHKVHMDNBIMLPE-VFEDGGCQSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds4

About N-methylidene-N'-pent-1-enylmethanimidamide

N-methylidene-N'-pent-1-enylmethanimidamide (PubChem CID 123347539) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methylidene-N'-pent-1-enylmethanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-pent-1-enylmethanimidamide
PubChem CID123347539
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methylidene-N'-pent-1-enylmethanimidamide
SMILESC=N/C=N/C=CCCC
InChIInChI=1S/C7H12N2/c1-3-4-5-6-9-7-8-2/h5-7H,2-4H2,1H3/b6-5?,9-7+
InChIKeyJHKVHMDNBIMLPE-VFEDGGCQSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.03
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'-pent-1-enylmethanimidamide?
The IUPAC name of N-methylidene-N'-pent-1-enylmethanimidamide (CID 123347539) is N-methylidene-N'-pent-1-enylmethanimidamide.
What is the SMILES notation for N-methylidene-N'-pent-1-enylmethanimidamide?
The canonical SMILES for N-methylidene-N'-pent-1-enylmethanimidamide is C=N/C=N/C=CCCC.
What is the InChIKey of N-methylidene-N'-pent-1-enylmethanimidamide?
The InChIKey is JHKVHMDNBIMLPE-VFEDGGCQSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-5-6-9-7-8-2/h5-7H,2-4H2,1H3/b6-5?,9-7+.
What are the key properties of N-methylidene-N'-pent-1-enylmethanimidamide?
N-methylidene-N'-pent-1-enylmethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-pent-1-enylmethanimidamide is sourced from PubChem (CID 123347539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).