N-methyl-N-[(E)-prop-1-enyl]ethanimidamide

C6H12N2 — CID 143200690

IUPACN-methyl-N-[(E)-prop-1-enyl]ethanimidamide
SMILES[H]/N=C(\C)N(C)/C=C/C
InChIInChI=1S/C6H12N2/c1-4-5-8(3)6(2)7/h4-5,7H,1-3H3/b5-4+,7-6+
InChIKeyDNYMPDJLNNEOAP-YTXTXJHMSA-N
MW112.18 g/mol
LogP1.45
Rot. Bonds1

About N-methyl-N-[(E)-prop-1-enyl]ethanimidamide

N-methyl-N-[(E)-prop-1-enyl]ethanimidamide (PubChem CID 143200690) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-methyl-N-[(E)-prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-prop-1-enyl]ethanimidamide
PubChem CID143200690
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-methyl-N-[(E)-prop-1-enyl]ethanimidamide
SMILES[H]/N=C(\C)N(C)/C=C/C
InChIInChI=1S/C6H12N2/c1-4-5-8(3)6(2)7/h4-5,7H,1-3H3/b5-4+,7-6+
InChIKeyDNYMPDJLNNEOAP-YTXTXJHMSA-N
XLogP1.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.45
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-[(E)-prop-1-enyl]ethanimidamide?
The IUPAC name of N-methyl-N-[(E)-prop-1-enyl]ethanimidamide (CID 143200690) is N-methyl-N-[(E)-prop-1-enyl]ethanimidamide.
What is the SMILES notation for N-methyl-N-[(E)-prop-1-enyl]ethanimidamide?
The canonical SMILES for N-methyl-N-[(E)-prop-1-enyl]ethanimidamide is [H]/N=C(\C)N(C)/C=C/C.
What is the InChIKey of N-methyl-N-[(E)-prop-1-enyl]ethanimidamide?
The InChIKey is DNYMPDJLNNEOAP-YTXTXJHMSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-5-8(3)6(2)7/h4-5,7H,1-3H3/b5-4+,7-6+.
What are the key properties of N-methyl-N-[(E)-prop-1-enyl]ethanimidamide?
N-methyl-N-[(E)-prop-1-enyl]ethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-prop-1-enyl]ethanimidamide is sourced from PubChem (CID 143200690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).