2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride

C7H16Cl2N2 — CID 19043647

IUPAC2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride
SMILESC=CC/N=C(\N)C(C)C.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-4-5-9-7(8)6(2)3;;/h4,6H,1,5H2,2-3H3,(H2,8,9);2*1H
InChIKeyKKRAEIOBBQNTHQ-UHFFFAOYSA-N
MW199.12 g/mol
LogP2.03
Rot. Bonds3

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

2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride (PubChem CID 19043647) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride
PubChem CID19043647
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride
SMILESC=CC/N=C(\N)C(C)C.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-4-5-9-7(8)6(2)3;;/h4,6H,1,5H2,2-3H3,(H2,8,9);2*1H
InChIKeyKKRAEIOBBQNTHQ-UHFFFAOYSA-N
XLogP2.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 52.03
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

CID 19043648
CID 19043648
CID 55220664
CID 55220664
CID 87877522
CID 87877522
CID 87960869
CID 87960869
CID 88113927
CID 88113927
CID 88314105
CID 88314105
CID 126992646
CID 126992646
CID 143229175
CID 143229175
CID 177718400
CID 177718400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride?
The IUPAC name of 2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride (CID 19043647) is 2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride.
What is the SMILES notation for 2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride?
The canonical SMILES for 2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride is C=CC/N=C(\N)C(C)C.Cl.Cl.
What is the InChIKey of 2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride?
The InChIKey is KKRAEIOBBQNTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c1-4-5-9-7(8)6(2)3;;/h4,6H,1,5H2,2-3H3,(H2,8,9);2*1H.
What are the key properties of 2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride?
2-methyl-N'-prop-2-enylpropanimidamide;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 2.03, 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;dihydrochloride is sourced from PubChem (CID 19043647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).