N,N-dimethyl-N'-propylethanimidamide

C7H16N2 — CID 525285

IUPACN,N-dimethyl-N'-propylethanimidamide
SMILESCCC/N=C(\C)N(C)C
InChIInChI=1S/C7H16N2/c1-5-6-8-7(2)9(3)4/h5-6H2,1-4H3/b8-7+
InChIKeyVCEKZPKWRURQCS-BQYQJAHWSA-N
MW128.22 g/mol
LogP1.38
Rot. Bonds2

About N,N-dimethyl-N'-propylethanimidamide

N,N-dimethyl-N'-propylethanimidamide (PubChem CID 525285) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N,N-dimethyl-N'-propylethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-propylethanimidamide
PubChem CID525285
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,N-dimethyl-N'-propylethanimidamide
SMILESCCC/N=C(\C)N(C)C
InChIInChI=1S/C7H16N2/c1-5-6-8-7(2)9(3)4/h5-6H2,1-4H3/b8-7+
InChIKeyVCEKZPKWRURQCS-BQYQJAHWSA-N
XLogP1.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
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,N-dimethyl-N'-propylethanimidamide?
The IUPAC name of N,N-dimethyl-N'-propylethanimidamide (CID 525285) is N,N-dimethyl-N'-propylethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-propylethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-propylethanimidamide is CCC/N=C(\C)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-propylethanimidamide?
The InChIKey is VCEKZPKWRURQCS-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-6-8-7(2)9(3)4/h5-6H2,1-4H3/b8-7+.
What are the key properties of N,N-dimethyl-N'-propylethanimidamide?
N,N-dimethyl-N'-propylethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-propylethanimidamide is sourced from PubChem (CID 525285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).