N-ethylidene-N'-prop-1-en-2-ylmethanimidamide

C6H10N2 — CID 130351047

IUPACN-ethylidene-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N=C/C
InChIInChI=1S/C6H10N2/c1-4-7-5-8-6(2)3/h4-5H,2H2,1,3H3/b7-4+,8-5+
InChIKeyIUONCOOLOUICPS-NSLJXJERSA-N
MW110.16 g/mol
LogP1.64
Rot. Bonds2

About N-ethylidene-N'-prop-1-en-2-ylmethanimidamide

N-ethylidene-N'-prop-1-en-2-ylmethanimidamide (PubChem CID 130351047) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-ethylidene-N'-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-prop-1-en-2-ylmethanimidamide
PubChem CID130351047
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-ethylidene-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N=C/C
InChIInChI=1S/C6H10N2/c1-4-7-5-8-6(2)3/h4-5H,2H2,1,3H3/b7-4+,8-5+
InChIKeyIUONCOOLOUICPS-NSLJXJERSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.64
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-ethylidene-N'-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N-ethylidene-N'-prop-1-en-2-ylmethanimidamide (CID 130351047) is N-ethylidene-N'-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N-ethylidene-N'-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N-ethylidene-N'-prop-1-en-2-ylmethanimidamide is C=C(C)/N=C/N=C/C.
What is the InChIKey of N-ethylidene-N'-prop-1-en-2-ylmethanimidamide?
The InChIKey is IUONCOOLOUICPS-NSLJXJERSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-7-5-8-6(2)3/h4-5H,2H2,1,3H3/b7-4+,8-5+.
What are the key properties of N-ethylidene-N'-prop-1-en-2-ylmethanimidamide?
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 130351047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).