N-methyl-N-[(Z)-prop-1-enyl]propanimidamide

C7H14N2 — CID 143038070

IUPACN-methyl-N-[(Z)-prop-1-enyl]propanimidamide
SMILES[H]/N=C(\CC)N(C)/C=C\C
InChIInChI=1S/C7H14N2/c1-4-6-9(3)7(8)5-2/h4,6,8H,5H2,1-3H3/b6-4-,8-7+
InChIKeyAMWACYSITGKFRY-IQTBQJLQSA-N
MW126.20 g/mol
LogP1.84
Rot. Bonds2

About N-methyl-N-[(Z)-prop-1-enyl]propanimidamide

N-methyl-N-[(Z)-prop-1-enyl]propanimidamide (PubChem CID 143038070) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-methyl-N-[(Z)-prop-1-enyl]propanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(Z)-prop-1-enyl]propanimidamide
PubChem CID143038070
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-methyl-N-[(Z)-prop-1-enyl]propanimidamide
SMILES[H]/N=C(\CC)N(C)/C=C\C
InChIInChI=1S/C7H14N2/c1-4-6-9(3)7(8)5-2/h4,6,8H,5H2,1-3H3/b6-4-,8-7+
InChIKeyAMWACYSITGKFRY-IQTBQJLQSA-N
XLogP1.84
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-prop-1-enyl]propanimidamide?
The IUPAC name of N-methyl-N-[(Z)-prop-1-enyl]propanimidamide (CID 143038070) is N-methyl-N-[(Z)-prop-1-enyl]propanimidamide.
What is the SMILES notation for N-methyl-N-[(Z)-prop-1-enyl]propanimidamide?
The canonical SMILES for N-methyl-N-[(Z)-prop-1-enyl]propanimidamide is [H]/N=C(\CC)N(C)/C=C\C.
What is the InChIKey of N-methyl-N-[(Z)-prop-1-enyl]propanimidamide?
The InChIKey is AMWACYSITGKFRY-IQTBQJLQSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6-9(3)7(8)5-2/h4,6,8H,5H2,1-3H3/b6-4-,8-7+.
What are the key properties of N-methyl-N-[(Z)-prop-1-enyl]propanimidamide?
N-methyl-N-[(Z)-prop-1-enyl]propanimidamide has a molecular weight of 126.20 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 N-methyl-N-[(Z)-prop-1-enyl]propanimidamide is sourced from PubChem (CID 143038070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).