N'-ethenyl-3-methyl-N-methylidenebutanimidamide

C8H14N2 — CID 178151525

IUPACN'-ethenyl-3-methyl-N-methylidenebutanimidamide
SMILESC=C/N=C(/CC(C)C)N=C
InChIInChI=1S/C8H14N2/c1-5-10-8(9-4)6-7(2)3/h5,7H,1,4,6H2,2-3H3/b10-8-
InChIKeyYSHCGSUPGXZEQK-NTMALXAHSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds3

About N'-ethenyl-3-methyl-N-methylidenebutanimidamide

N'-ethenyl-3-methyl-N-methylidenebutanimidamide (PubChem CID 178151525) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-ethenyl-3-methyl-N-methylidenebutanimidamide.

Molecular Properties

Compound NameN'-ethenyl-3-methyl-N-methylidenebutanimidamide
PubChem CID178151525
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-ethenyl-3-methyl-N-methylidenebutanimidamide
SMILESC=C/N=C(/CC(C)C)N=C
InChIInChI=1S/C8H14N2/c1-5-10-8(9-4)6-7(2)3/h5,7H,1,4,6H2,2-3H3/b10-8-
InChIKeyYSHCGSUPGXZEQK-NTMALXAHSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
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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Related Compounds

(Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine
CID 166995370
N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine
CID 139299399
N-[(1Z)-buta-1,3-dienyl]-4-methylpentan-2-imine
CID 129029808
N-ethenyl-5-methyl-4-methylidenehexan-3-imine
CID 177170143
N'-ethenyl-2-methylbutanimidamide
CID 155258668
5-methyl-N-prop-1-en-2-ylhex-1-en-3-imine
CID 145061781
3-ethenylimino-4-fluoropent-4-en-2-amine
CID 170619288
N-(3-ethylidene-5-methylhexyl)methanimine
CID 90954113
N'-ethenyl-N,N,2-trimethylpropanimidamide
CID 142276539
3,6-dimethylhept-1-en-4-one
CID 10374543
(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
CID 142238134
(Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine
CID 129093780

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-3-methyl-N-methylidenebutanimidamide?
The IUPAC name of N'-ethenyl-3-methyl-N-methylidenebutanimidamide (CID 178151525) is N'-ethenyl-3-methyl-N-methylidenebutanimidamide.
What is the SMILES notation for N'-ethenyl-3-methyl-N-methylidenebutanimidamide?
The canonical SMILES for N'-ethenyl-3-methyl-N-methylidenebutanimidamide is C=C/N=C(/CC(C)C)N=C.
What is the InChIKey of N'-ethenyl-3-methyl-N-methylidenebutanimidamide?
The InChIKey is YSHCGSUPGXZEQK-NTMALXAHSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-10-8(9-4)6-7(2)3/h5,7H,1,4,6H2,2-3H3/b10-8-.
What are the key properties of N'-ethenyl-3-methyl-N-methylidenebutanimidamide?
N'-ethenyl-3-methyl-N-methylidenebutanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-3-methyl-N-methylidenebutanimidamide is sourced from PubChem (CID 178151525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).