N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide

C10H20N2 — CID 167083154

IUPACN-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide
SMILESCC/C=C(C)/N=C(\C)N(C)CC
InChIInChI=1S/C10H20N2/c1-6-8-9(3)11-10(4)12(5)7-2/h8H,6-7H2,1-5H3/b9-8+,11-10+
InChIKeyYMQQUBZCECGBJG-BNFZFUHLSA-N
MW168.28 g/mol
LogP2.67
Rot. Bonds3

About N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide

N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide (PubChem CID 167083154) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide
PubChem CID167083154
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide
SMILESCC/C=C(C)/N=C(\C)N(C)CC
InChIInChI=1S/C10H20N2/c1-6-8-9(3)11-10(4)12(5)7-2/h8H,6-7H2,1-5H3/b9-8+,11-10+
InChIKeyYMQQUBZCECGBJG-BNFZFUHLSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.67
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide?
The IUPAC name of N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide (CID 167083154) is N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide.
What is the SMILES notation for N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide?
The canonical SMILES for N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide is CC/C=C(C)/N=C(\C)N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide?
The InChIKey is YMQQUBZCECGBJG-BNFZFUHLSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-8-9(3)11-10(4)12(5)7-2/h8H,6-7H2,1-5H3/b9-8+,11-10+.
What are the key properties of N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide?
N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-N'-[(E)-pent-2-en-2-yl]ethanimidamide is sourced from PubChem (CID 167083154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).