N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide

C10H18N2 — CID 139453805

IUPACN-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
SMILESC=C(/C=C\CC)/N=C/N(C)CC
InChIInChI=1S/C10H18N2/c1-5-7-8-10(3)11-9-12(4)6-2/h7-9H,3,5-6H2,1-2,4H3/b8-7-,11-9+
InChIKeyHLLBOHRPPZFFND-NSXXKTIASA-N
MW166.27 g/mol
LogP2.45
Rot. Bonds5

About N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide

N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide (PubChem CID 139453805) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
PubChem CID139453805
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
SMILESC=C(/C=C\CC)/N=C/N(C)CC
InChIInChI=1S/C10H18N2/c1-5-7-8-10(3)11-9-12(4)6-2/h7-9H,3,5-6H2,1-2,4H3/b8-7-,11-9+
InChIKeyHLLBOHRPPZFFND-NSXXKTIASA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.45
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide 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-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide (CID 139453805) is N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide is C=C(/C=C\CC)/N=C/N(C)CC.
What is the InChIKey of N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide?
The InChIKey is HLLBOHRPPZFFND-NSXXKTIASA-N. The full InChI is InChI=1S/C10H18N2/c1-5-7-8-10(3)11-9-12(4)6-2/h7-9H,3,5-6H2,1-2,4H3/b8-7-,11-9+.
What are the key properties of N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide?
N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide is sourced from PubChem (CID 139453805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).