3-methyl-N'-prop-1-enylbut-2-enimidamide

C8H14N2 — CID 123388455

IUPAC3-methyl-N'-prop-1-enylbut-2-enimidamide
SMILESCC=C/N=C(/N)C=C(C)C
InChIInChI=1S/C8H14N2/c1-4-5-10-8(9)6-7(2)3/h4-6H,1-3H3,(H2,9,10)
InChIKeyJUKRJZKXKCNNQT-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.84
Rot. Bonds2

About 3-methyl-N'-prop-1-enylbut-2-enimidamide

3-methyl-N'-prop-1-enylbut-2-enimidamide (PubChem CID 123388455) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methyl-N'-prop-1-enylbut-2-enimidamide.

Molecular Properties

Compound Name3-methyl-N'-prop-1-enylbut-2-enimidamide
PubChem CID123388455
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-methyl-N'-prop-1-enylbut-2-enimidamide
SMILESCC=C/N=C(/N)C=C(C)C
InChIInChI=1S/C8H14N2/c1-4-5-10-8(9)6-7(2)3/h4-6H,1-3H3,(H2,9,10)
InChIKeyJUKRJZKXKCNNQT-UHFFFAOYSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
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

(E)-N'-ethenyl-3-fluorobut-2-enimidamide
CID 142337031
N'-ethenylprop-2-enimidamide
CID 23073048
3-methyl-2H-pyrrol-5-amine
CID 58190614
(Z)-N'-ethenylbut-2-enimidamide
CID 89082386
(Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide
CID 89341002
(Z)-N'-[(Z)-prop-1-enyl]but-2-enimidamide
CID 91236794
N'-prop-1-enylethanimidamide
CID 91572232
N'-ethenyl-2-methylprop-2-enimidamide
CID 123272736
5-methyl-4H-azepin-7-amine
CID 123759208
N',3-dimethylbut-2-enimidamide
CID 123874622
N'-ethenyl-2,3-dimethylbut-2-enimidamide
CID 123957660
(E)-N'-ethylbut-2-enimidamide
CID 124181986

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-prop-1-enylbut-2-enimidamide?
The IUPAC name of 3-methyl-N'-prop-1-enylbut-2-enimidamide (CID 123388455) is 3-methyl-N'-prop-1-enylbut-2-enimidamide.
What is the SMILES notation for 3-methyl-N'-prop-1-enylbut-2-enimidamide?
The canonical SMILES for 3-methyl-N'-prop-1-enylbut-2-enimidamide is CC=C/N=C(/N)C=C(C)C.
What is the InChIKey of 3-methyl-N'-prop-1-enylbut-2-enimidamide?
The InChIKey is JUKRJZKXKCNNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-10-8(9)6-7(2)3/h4-6H,1-3H3,(H2,9,10).
What are the key properties of 3-methyl-N'-prop-1-enylbut-2-enimidamide?
3-methyl-N'-prop-1-enylbut-2-enimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-prop-1-enylbut-2-enimidamide is sourced from PubChem (CID 123388455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).