N-ethyl-N'-methyl-N-propylpropanimidamide

C9H20N2 — CID 153334824

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

About N-ethyl-N'-methyl-N-propylpropanimidamide

N-ethyl-N'-methyl-N-propylpropanimidamide (PubChem CID 153334824) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N-propylpropanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N-propylpropanimidamide
PubChem CID153334824
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-ethyl-N'-methyl-N-propylpropanimidamide
SMILESCCCN(CC)/C(CC)=N/C
InChIInChI=1S/C9H20N2/c1-5-8-11(7-3)9(6-2)10-4/h5-8H2,1-4H3/b10-9+
InChIKeyOTUSAHAYNPYLSO-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'}

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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,N-dipropylpropanimidamide
CID 62047942
N-(2-fluoropropyl)-N-methyl-N'-(N,N,N'-trimethylcarbamimidoyl)ethanimidamide
CID 123778883
N'-Butyl-N,N-dimethyl-acetamidine
CID 525277
N,N-Dimethyl-N'-propyl-isobutyramidine
CID 525846
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
1-Butyl-2-ethyl-4,5-dihydroimidazole
CID 86103198
N,N-Dimethyl-N'-butyl-propionamidine
CID 525837

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N-propylpropanimidamide?
The IUPAC name of N-ethyl-N'-methyl-N-propylpropanimidamide (CID 153334824) is N-ethyl-N'-methyl-N-propylpropanimidamide.
What is the SMILES notation for N-ethyl-N'-methyl-N-propylpropanimidamide?
The canonical SMILES for N-ethyl-N'-methyl-N-propylpropanimidamide is CCCN(CC)/C(CC)=N/C.
What is the InChIKey of N-ethyl-N'-methyl-N-propylpropanimidamide?
The InChIKey is OTUSAHAYNPYLSO-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-8-11(7-3)9(6-2)10-4/h5-8H2,1-4H3/b10-9+.
What are the key properties of N-ethyl-N'-methyl-N-propylpropanimidamide?
N-ethyl-N'-methyl-N-propylpropanimidamide 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-ethyl-N'-methyl-N-propylpropanimidamide is sourced from PubChem (CID 153334824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).