N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide

C9H17N3 — CID 163254632

IUPACN'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C(=C\C)CNCC
InChIInChI=1S/C9H17N3/c1-5-9(7-11-6-2)12-8(3)10-4/h5,11H,4,6-7H2,1-3H3/b9-5-,12-8+
InChIKeyASHKOVLSKZHKSK-ZYEZJADKSA-N
MW167.26 g/mol
LogP1.62
Rot. Bonds4

About N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide

N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide (PubChem CID 163254632) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide
PubChem CID163254632
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide
SMILESC=N/C(C)=N/C(=C\C)CNCC
InChIInChI=1S/C9H17N3/c1-5-9(7-11-6-2)12-8(3)10-4/h5,11H,4,6-7H2,1-3H3/b9-5-,12-8+
InChIKeyASHKOVLSKZHKSK-ZYEZJADKSA-N
XLogP1.62
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide?
The IUPAC name of N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide (CID 163254632) is N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide.
What is the SMILES notation for N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide?
The canonical SMILES for N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide is C=N/C(C)=N/C(=C\C)CNCC.
What is the InChIKey of N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide?
The InChIKey is ASHKOVLSKZHKSK-ZYEZJADKSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-9(7-11-6-2)12-8(3)10-4/h5,11H,4,6-7H2,1-3H3/b9-5-,12-8+.
What are the key properties of N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide?
N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(ethylamino)but-2-en-2-yl]-N-methylideneethanimidamide is sourced from PubChem (CID 163254632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).