N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide

C6H10N2 — CID 163605686

IUPACN-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide
SMILES[H]/N=C/N(C)C1=C(C)C1
InChIInChI=1S/C6H10N2/c1-5-3-6(5)8(2)4-7/h4,7H,3H2,1-2H3/b7-4+
InChIKeyHBOHFJQHLMWZAK-QPJJXVBHSA-N
MW110.16 g/mol
LogP1.20
Rot. Bonds2

About N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide

N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide (PubChem CID 163605686) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide
PubChem CID163605686
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide
SMILES[H]/N=C/N(C)C1=C(C)C1
InChIInChI=1S/C6H10N2/c1-5-3-6(5)8(2)4-7/h4,7H,3H2,1-2H3/b7-4+
InChIKeyHBOHFJQHLMWZAK-QPJJXVBHSA-N
XLogP1.20
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide?
The IUPAC name of N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide (CID 163605686) is N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide.
What is the SMILES notation for N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide?
The canonical SMILES for N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide is [H]/N=C/N(C)C1=C(C)C1.
What is the InChIKey of N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide?
The InChIKey is HBOHFJQHLMWZAK-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-3-6(5)8(2)4-7/h4,7H,3H2,1-2H3/b7-4+.
What are the key properties of N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide?
N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclopropen-1-yl)methanimidamide is sourced from PubChem (CID 163605686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).