N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide

C9H17N3 — CID 146358818

IUPACN'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide
SMILESC=C(C)N/C(CCC)=N/C=N/C
InChIInChI=1S/C9H17N3/c1-5-6-9(11-7-10-4)12-8(2)3/h7H,2,5-6H2,1,3-4H3,(H,10,11,12)
InChIKeySNROIXIPJBROPP-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.97
Rot. Bonds4

About N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide

N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide (PubChem CID 146358818) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide.

Molecular Properties

Compound NameN'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide
PubChem CID146358818
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide
SMILESC=C(C)N/C(CCC)=N/C=N/C
InChIInChI=1S/C9H17N3/c1-5-6-9(11-7-10-4)12-8(2)3/h7H,2,5-6H2,1,3-4H3,(H,10,11,12)
InChIKeySNROIXIPJBROPP-UHFFFAOYSA-N
XLogP1.97
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
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'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide?
The IUPAC name of N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide (CID 146358818) is N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide.
What is the SMILES notation for N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide?
The canonical SMILES for N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide is C=C(C)N/C(CCC)=N/C=N/C.
What is the InChIKey of N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide?
The InChIKey is SNROIXIPJBROPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-6-9(11-7-10-4)12-8(2)3/h7H,2,5-6H2,1,3-4H3,(H,10,11,12).
What are the key properties of N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide?
N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methyliminomethyl)-N-prop-1-en-2-ylbutanimidamide is sourced from PubChem (CID 146358818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).