N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide

C8H16N2 — CID 126626579

IUPACN'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide
SMILESC=C/N=C/N(CC)C(C)C
InChIInChI=1S/C8H16N2/c1-5-9-7-10(6-2)8(3)4/h5,7-8H,1,6H2,2-4H3/b9-7+
InChIKeyBVYFRQLZXSTGIY-VQHVLOKHSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds4

About N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide

N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide (PubChem CID 126626579) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide
PubChem CID126626579
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide
SMILESC=C/N=C/N(CC)C(C)C
InChIInChI=1S/C8H16N2/c1-5-9-7-10(6-2)8(3)4/h5,7-8H,1,6H2,2-4H3/b9-7+
InChIKeyBVYFRQLZXSTGIY-VQHVLOKHSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.89
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'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide?
The IUPAC name of N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide (CID 126626579) is N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide is C=C/N=C/N(CC)C(C)C.
What is the InChIKey of N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide?
The InChIKey is BVYFRQLZXSTGIY-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-9-7-10(6-2)8(3)4/h5,7-8H,1,6H2,2-4H3/b9-7+.
What are the key properties of N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide?
N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-ethyl-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 126626579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).