2-methyl-N'-prop-2-enylpropanimidamide

C7H14N2 — CID 19043648

IUPAC2-methyl-N'-prop-2-enylpropanimidamide
SMILESC=CC/N=C(\N)C(C)C
InChIInChI=1S/C7H14N2/c1-4-5-9-7(8)6(2)3/h4,6H,1,5H2,2-3H3,(H2,8,9)
InChIKeyXVEPOWNTHZXVNQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.19
Rot. Bonds3

About 2-methyl-N'-prop-2-enylpropanimidamide

2-methyl-N'-prop-2-enylpropanimidamide (PubChem CID 19043648) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methyl-N'-prop-2-enylpropanimidamide.

Molecular Properties

Compound Name2-methyl-N'-prop-2-enylpropanimidamide
PubChem CID19043648
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-methyl-N'-prop-2-enylpropanimidamide
SMILESC=CC/N=C(\N)C(C)C
InChIInChI=1S/C7H14N2/c1-4-5-9-7(8)6(2)3/h4,6H,1,5H2,2-3H3,(H2,8,9)
InChIKeyXVEPOWNTHZXVNQ-UHFFFAOYSA-N
XLogP1.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.19
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride
CID 19043647
(1E)-N'-(Prop-2-en-1-yl)ethanimidamide
CID 55220664
N'-prop-2-enylbut-3-enimidamide
CID 87174806
2-methyl-N'-prop-2-enylbutanimidamide
CID 87877522
3-[(3-amino-2-methyl-3-prop-2-enyliminopropyl)diazenyl]-2-methyl-N'-prop-2-enylpropanimidamide
CID 87960870
N'-prop-2-enylpropanimidamide
CID 88113927
N'-(2-methylprop-2-enyl)propanimidamide
CID 88314106
N'-[(1Z)-buta-1,3-dienyl]-2-methylpropanimidamide
CID 89140157
N'-propylprop-2-enimidamide
CID 90160257
N'-prop-2-enylprop-2-enimidamide
CID 123258044
3-imino-N'-prop-2-enylbutanimidamide
CID 123285193
N'-(2-methylbut-3-enyl)ethanimidamide
CID 123859645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-prop-2-enylpropanimidamide?
The IUPAC name of 2-methyl-N'-prop-2-enylpropanimidamide (CID 19043648) is 2-methyl-N'-prop-2-enylpropanimidamide.
What is the SMILES notation for 2-methyl-N'-prop-2-enylpropanimidamide?
The canonical SMILES for 2-methyl-N'-prop-2-enylpropanimidamide is C=CC/N=C(\N)C(C)C.
What is the InChIKey of 2-methyl-N'-prop-2-enylpropanimidamide?
The InChIKey is XVEPOWNTHZXVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-9-7(8)6(2)3/h4,6H,1,5H2,2-3H3,(H2,8,9).
What are the key properties of 2-methyl-N'-prop-2-enylpropanimidamide?
2-methyl-N'-prop-2-enylpropanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-prop-2-enylpropanimidamide is sourced from PubChem (CID 19043648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).