N,N'-dimethyl-N-propylethanimidamide

C7H16N2 — CID 20688203

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

About N,N'-dimethyl-N-propylethanimidamide

N,N'-dimethyl-N-propylethanimidamide (PubChem CID 20688203) 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 CID20688203
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,N'-dimethyl-N-propylethanimidamide
SMILESCCCN(C)/C(C)=N/C
InChIInChI=1S/C7H16N2/c1-5-6-9(4)7(2)8-3/h5-6H2,1-4H3/b8-7+
InChIKeyXCZNRQHVZPLSFF-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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Related Compounds

Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
CID 77953
1,2,3-Triethyl-4,5-dihydro-1H-imidazolium
CID 499188
1,2,3-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 499194
N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide
CID 123778883
N'-Propyl-N,N-dimethyl-acetamidine
CID 525285
N,N-dimethyl-N'-propylpropanimidamide
CID 22211913
N,N-Diethyl-N'-propylacetamidine
CID 519058
InChI=1/C6H12N2/c1-3-6-7-4-5-8(6)2/h3-5H2,1-2H
CID 13928573
N,N-Dimethyl-N'-butyl-propionamidine
CID 525837
N'-cyano-N-(2-cyanoethyl)-N-methylethanimidamide
CID 85848239
(CH3)2NC(CH3)=N-(CH2)3N(CH3)2
CID 6432127
1-Butyl-2-methyl-4,5-dihydroimidazole
CID 11040787

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-propylethanimidamide?
The IUPAC name of N,N'-dimethyl-N-propylethanimidamide (CID 20688203) 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 CCCN(C)/C(C)=N/C.
What is the InChIKey of N,N'-dimethyl-N-propylethanimidamide?
The InChIKey is XCZNRQHVZPLSFF-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-6-9(4)7(2)8-3/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 20688203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).