N,N-dimethyl-N'-propylpropanimidamide

C8H18N2 — CID 22211913

IUPACN,N-dimethyl-N'-propylpropanimidamide
SMILESCCC/N=C(\CC)N(C)C
InChIInChI=1S/C8H18N2/c1-5-7-9-8(6-2)10(3)4/h5-7H2,1-4H3/b9-8+
InChIKeyJJUXDAKKPONJQL-CMDGGOBGSA-N
MW142.25 g/mol
LogP1.77
Rot. Bonds3

About N,N-dimethyl-N'-propylpropanimidamide

N,N-dimethyl-N'-propylpropanimidamide (PubChem CID 22211913) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N-dimethyl-N'-propylpropanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-propylpropanimidamide
PubChem CID22211913
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N-dimethyl-N'-propylpropanimidamide
SMILESCCC/N=C(\CC)N(C)C
InChIInChI=1S/C8H18N2/c1-5-7-9-8(6-2)10(3)4/h5-7H2,1-4H3/b9-8+
InChIKeyJJUXDAKKPONJQL-CMDGGOBGSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.77
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'-propylpropanimidamide?
The IUPAC name of N,N-dimethyl-N'-propylpropanimidamide (CID 22211913) is N,N-dimethyl-N'-propylpropanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-propylpropanimidamide?
The canonical SMILES for N,N-dimethyl-N'-propylpropanimidamide is CCC/N=C(\CC)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-propylpropanimidamide?
The InChIKey is JJUXDAKKPONJQL-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-7-9-8(6-2)10(3)4/h5-7H2,1-4H3/b9-8+.
What are the key properties of N,N-dimethyl-N'-propylpropanimidamide?
N,N-dimethyl-N'-propylpropanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-propylpropanimidamide is sourced from PubChem (CID 22211913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).