N-methyl-N-propylethanimidamide

C6H14N2 — CID 59020701

IUPACN-methyl-N-propylethanimidamide
SMILES[H]/N=C(\C)N(C)CCC
InChIInChI=1S/C6H14N2/c1-4-5-8(3)6(2)7/h7H,4-5H2,1-3H3/b7-6+
InChIKeyOJJLZBIJWYXFHQ-VOTSOKGWSA-N
MW114.19 g/mol
LogP1.33
Rot. Bonds2

About N-methyl-N-propylethanimidamide

N-methyl-N-propylethanimidamide (PubChem CID 59020701) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N-methyl-N-propylethanimidamide.

Molecular Properties

Compound NameN-methyl-N-propylethanimidamide
PubChem CID59020701
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN-methyl-N-propylethanimidamide
SMILES[H]/N=C(\C)N(C)CCC
InChIInChI=1S/C6H14N2/c1-4-5-8(3)6(2)7/h7H,4-5H2,1-3H3/b7-6+
InChIKeyOJJLZBIJWYXFHQ-VOTSOKGWSA-N
XLogP1.33
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.33
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-propylethanimidamide?
The IUPAC name of N-methyl-N-propylethanimidamide (CID 59020701) is N-methyl-N-propylethanimidamide.
What is the SMILES notation for N-methyl-N-propylethanimidamide?
The canonical SMILES for N-methyl-N-propylethanimidamide is [H]/N=C(\C)N(C)CCC.
What is the InChIKey of N-methyl-N-propylethanimidamide?
The InChIKey is OJJLZBIJWYXFHQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-5-8(3)6(2)7/h7H,4-5H2,1-3H3/b7-6+.
What are the key properties of N-methyl-N-propylethanimidamide?
N-methyl-N-propylethanimidamide has a molecular weight of 114.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylethanimidamide is sourced from PubChem (CID 59020701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).