2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide

C8H15N3 — CID 142083163

IUPAC2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=N/C(CN(C)C)=N/C(=C)C
InChIInChI=1S/C8H15N3/c1-7(2)10-8(9-3)6-11(4)5/h1,3,6H2,2,4-5H3/b10-8+
InChIKeyBKFFKJWPNJGGJF-CSKARUKUSA-N
MW153.23 g/mol
LogP1.18
Rot. Bonds3

About 2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide

2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide (PubChem CID 142083163) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide
PubChem CID142083163
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=N/C(CN(C)C)=N/C(=C)C
InChIInChI=1S/C8H15N3/c1-7(2)10-8(9-3)6-11(4)5/h1,3,6H2,2,4-5H3/b10-8+
InChIKeyBKFFKJWPNJGGJF-CSKARUKUSA-N
XLogP1.18
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of 2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide (CID 142083163) is 2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for 2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for 2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide is C=N/C(CN(C)C)=N/C(=C)C.
What is the InChIKey of 2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide?
The InChIKey is BKFFKJWPNJGGJF-CSKARUKUSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)10-8(9-3)6-11(4)5/h1,3,6H2,2,4-5H3/b10-8+.
What are the key properties of 2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide?
2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methylidene-N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 142083163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).