N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide

C10H20N2 — CID 170048090

IUPACN-ethenyl-N-ethyl-2,3-dimethylbutanimidamide
SMILES[H]/N=C(/C(C)C(C)C)N(C=C)CC
InChIInChI=1S/C10H20N2/c1-6-12(7-2)10(11)9(5)8(3)4/h6,8-9,11H,1,7H2,2-5H3/b11-10-
InChIKeyTVJKDOCWAUNNFR-KHPPLWFESA-N
MW168.28 g/mol
LogP2.72
Rot. Bonds4

About N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide

N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide (PubChem CID 170048090) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-ethyl-2,3-dimethylbutanimidamide
PubChem CID170048090
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-ethenyl-N-ethyl-2,3-dimethylbutanimidamide
SMILES[H]/N=C(/C(C)C(C)C)N(C=C)CC
InChIInChI=1S/C10H20N2/c1-6-12(7-2)10(11)9(5)8(3)4/h6,8-9,11H,1,7H2,2-5H3/b11-10-
InChIKeyTVJKDOCWAUNNFR-KHPPLWFESA-N
XLogP2.72
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.72
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'}

Analyze N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide 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-ethenyl-N-ethyl-2,3-dimethylbutanimidamide?
The IUPAC name of N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide (CID 170048090) is N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide.
What is the SMILES notation for N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide?
The canonical SMILES for N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide is [H]/N=C(/C(C)C(C)C)N(C=C)CC.
What is the InChIKey of N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide?
The InChIKey is TVJKDOCWAUNNFR-KHPPLWFESA-N. The full InChI is InChI=1S/C10H20N2/c1-6-12(7-2)10(11)9(5)8(3)4/h6,8-9,11H,1,7H2,2-5H3/b11-10-.
What are the key properties of N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide?
N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-ethyl-2,3-dimethylbutanimidamide is sourced from PubChem (CID 170048090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).