N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide

C8H16N2 — CID 146389581

IUPACN'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide
SMILESC=C(CC)/N=C/N(C)CC
InChIInChI=1S/C8H16N2/c1-5-8(3)9-7-10(4)6-2/h7H,3,5-6H2,1-2,4H3/b9-7+
InChIKeyDSXMDBWJLHMKQB-VQHVLOKHSA-N
MW140.23 g/mol
LogP1.89
Rot. Bonds4

About N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide

N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide (PubChem CID 146389581) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide
PubChem CID146389581
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide
SMILESC=C(CC)/N=C/N(C)CC
InChIInChI=1S/C8H16N2/c1-5-8(3)9-7-10(4)6-2/h7H,3,5-6H2,1-2,4H3/b9-7+
InChIKeyDSXMDBWJLHMKQB-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'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide (CID 146389581) is N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide is C=C(CC)/N=C/N(C)CC.
What is the InChIKey of N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide?
The InChIKey is DSXMDBWJLHMKQB-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(3)9-7-10(4)6-2/h7H,3,5-6H2,1-2,4H3/b9-7+.
What are the key properties of N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide?
N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide 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'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 146389581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).