N-methyl-N-prop-2-ynylpropanimidamide

C7H12N2 — CID 143160706

IUPACN-methyl-N-prop-2-ynylpropanimidamide
SMILES[H]/N=C(\CC)N(C)CC#C
InChIInChI=1S/C7H12N2/c1-4-6-9(3)7(8)5-2/h1,8H,5-6H2,2-3H3/b8-7+
InChIKeyHTALJEYSOADTPV-BQYQJAHWSA-N
MW124.19 g/mol
LogP0.94
Rot. Bonds2

About N-methyl-N-prop-2-ynylpropanimidamide

N-methyl-N-prop-2-ynylpropanimidamide (PubChem CID 143160706) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylpropanimidamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynylpropanimidamide
PubChem CID143160706
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-N-prop-2-ynylpropanimidamide
SMILES[H]/N=C(\CC)N(C)CC#C
InChIInChI=1S/C7H12N2/c1-4-6-9(3)7(8)5-2/h1,8H,5-6H2,2-3H3/b8-7+
InChIKeyHTALJEYSOADTPV-BQYQJAHWSA-N
XLogP0.94
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.94
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynylpropanimidamide?
The IUPAC name of N-methyl-N-prop-2-ynylpropanimidamide (CID 143160706) is N-methyl-N-prop-2-ynylpropanimidamide.
What is the SMILES notation for N-methyl-N-prop-2-ynylpropanimidamide?
The canonical SMILES for N-methyl-N-prop-2-ynylpropanimidamide is [H]/N=C(\CC)N(C)CC#C.
What is the InChIKey of N-methyl-N-prop-2-ynylpropanimidamide?
The InChIKey is HTALJEYSOADTPV-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-6-9(3)7(8)5-2/h1,8H,5-6H2,2-3H3/b8-7+.
What are the key properties of N-methyl-N-prop-2-ynylpropanimidamide?
N-methyl-N-prop-2-ynylpropanimidamide has a molecular weight of 124.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynylpropanimidamide is sourced from PubChem (CID 143160706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).