N'-methyl-N-propylidenepent-3-ynimidamide

C9H14N2 — CID 144911851

IUPACN'-methyl-N-propylidenepent-3-ynimidamide
SMILESCC#CCC(/N=C/CC)=N\C
InChIInChI=1S/C9H14N2/c1-4-6-7-9(10-3)11-8-5-2/h8H,5,7H2,1-3H3/b10-9+,11-8+
InChIKeyDYTYLYXHOOVZLV-RUFFMTGISA-N
MW150.22 g/mol
LogP1.91
Rot. Bonds2

About N'-methyl-N-propylidenepent-3-ynimidamide

N'-methyl-N-propylidenepent-3-ynimidamide (PubChem CID 144911851) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N'-methyl-N-propylidenepent-3-ynimidamide.

Molecular Properties

Compound NameN'-methyl-N-propylidenepent-3-ynimidamide
PubChem CID144911851
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN'-methyl-N-propylidenepent-3-ynimidamide
SMILESCC#CCC(/N=C/CC)=N\C
InChIInChI=1S/C9H14N2/c1-4-6-7-9(10-3)11-8-5-2/h8H,5,7H2,1-3H3/b10-9+,11-8+
InChIKeyDYTYLYXHOOVZLV-RUFFMTGISA-N
XLogP1.91
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propylidenepent-3-ynimidamide?
The IUPAC name of N'-methyl-N-propylidenepent-3-ynimidamide (CID 144911851) is N'-methyl-N-propylidenepent-3-ynimidamide.
What is the SMILES notation for N'-methyl-N-propylidenepent-3-ynimidamide?
The canonical SMILES for N'-methyl-N-propylidenepent-3-ynimidamide is CC#CCC(/N=C/CC)=N\C.
What is the InChIKey of N'-methyl-N-propylidenepent-3-ynimidamide?
The InChIKey is DYTYLYXHOOVZLV-RUFFMTGISA-N. The full InChI is InChI=1S/C9H14N2/c1-4-6-7-9(10-3)11-8-5-2/h8H,5,7H2,1-3H3/b10-9+,11-8+.
What are the key properties of N'-methyl-N-propylidenepent-3-ynimidamide?
N'-methyl-N-propylidenepent-3-ynimidamide has a molecular weight of 150.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propylidenepent-3-ynimidamide is sourced from PubChem (CID 144911851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).