N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide

C9H17N3 — CID 142083477

IUPACN'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide
SMILESC=N/C(CN(C)C)=N/C(C)=C\C
InChIInChI=1S/C9H17N3/c1-6-8(2)11-9(10-3)7-12(4)5/h6H,3,7H2,1-2,4-5H3/b8-6-,11-9+
InChIKeyVKXMSSXBUSHVSN-ZOEDNYEGSA-N
MW167.26 g/mol
LogP1.57
Rot. Bonds3

About N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide

N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide (PubChem CID 142083477) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide
PubChem CID142083477
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide
SMILESC=N/C(CN(C)C)=N/C(C)=C\C
InChIInChI=1S/C9H17N3/c1-6-8(2)11-9(10-3)7-12(4)5/h6H,3,7H2,1-2,4-5H3/b8-6-,11-9+
InChIKeyVKXMSSXBUSHVSN-ZOEDNYEGSA-N
XLogP1.57
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.57
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 N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide (CID 142083477) is N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide is C=N/C(CN(C)C)=N/C(C)=C\C.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide?
The InChIKey is VKXMSSXBUSHVSN-ZOEDNYEGSA-N. The full InChI is InChI=1S/C9H17N3/c1-6-8(2)11-9(10-3)7-12(4)5/h6H,3,7H2,1-2,4-5H3/b8-6-,11-9+.
What are the key properties of N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide?
N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-en-2-yl]-2-(dimethylamino)-N-methylideneethanimidamide is sourced from PubChem (CID 142083477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).