N,N-diethyl-N'-propylethanimidamide

C9H20N2 — CID 519058

IUPACN,N-diethyl-N'-propylethanimidamide
SMILESCCC/N=C(\C)N(CC)CC
InChIInChI=1S/C9H20N2/c1-5-8-10-9(4)11(6-2)7-3/h5-8H2,1-4H3/b10-9+
InChIKeyAGZSVOCXEYHQGE-MDZDMXLPSA-N
MW156.27 g/mol
LogP2.16
Rot. Bonds4

About N,N-diethyl-N'-propylethanimidamide

N,N-diethyl-N'-propylethanimidamide (PubChem CID 519058) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N,N-diethyl-N'-propylethanimidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-propylethanimidamide
PubChem CID519058
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN,N-diethyl-N'-propylethanimidamide
SMILESCCC/N=C(\C)N(CC)CC
InChIInChI=1S/C9H20N2/c1-5-8-10-9(4)11(6-2)7-3/h5-8H2,1-4H3/b10-9+
InChIKeyAGZSVOCXEYHQGE-MDZDMXLPSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.16
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'}

Analyze N,N-diethyl-N'-propylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide
CID 123557300
N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide
CID 123778883
N'-Butyl-N,N-dimethyl-acetamidine
CID 525277
N'-Isobutyl-N,N-dimethyl-acetamidine
CID 525281
Ethanimidamide, N,N-dimethyl-N'-pentyl-
CID 525283
N'-Propyl-N,N-dimethyl-acetamidine
CID 525285
N,N-dimethyl-N'-propylpropanimidamide
CID 22211913
(3Z,7Z)-2-N,2-N,6-N,6-N-tetraethyl-4,8-dimethyl-1,3,5,7-tetrazocine-2,6-diamine
CID 134915555
N,N-Dimethyl-N'-butyl-propionamidine
CID 525837

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-propylethanimidamide?
The IUPAC name of N,N-diethyl-N'-propylethanimidamide (CID 519058) is N,N-diethyl-N'-propylethanimidamide.
What is the SMILES notation for N,N-diethyl-N'-propylethanimidamide?
The canonical SMILES for N,N-diethyl-N'-propylethanimidamide is CCC/N=C(\C)N(CC)CC.
What is the InChIKey of N,N-diethyl-N'-propylethanimidamide?
The InChIKey is AGZSVOCXEYHQGE-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-8-10-9(4)11(6-2)7-3/h5-8H2,1-4H3/b10-9+.
What are the key properties of N,N-diethyl-N'-propylethanimidamide?
N,N-diethyl-N'-propylethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-propylethanimidamide is sourced from PubChem (CID 519058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).