N-ethyl-N'-methyl-N-propylethanimidamide

C8H18N2 — CID 142132278

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

About N-ethyl-N'-methyl-N-propylethanimidamide

N-ethyl-N'-methyl-N-propylethanimidamide (PubChem CID 142132278) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N-propylethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N-propylethanimidamide
PubChem CID142132278
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-ethyl-N'-methyl-N-propylethanimidamide
SMILESCCCN(CC)/C(C)=N/C
InChIInChI=1S/C8H18N2/c1-5-7-10(6-2)8(3)9-4/h5-7H2,1-4H3/b9-8+
InChIKeyJTCOMXSUIRSMAE-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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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-dipropylethanimidamide
CID 62047941
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
N'-Propyl-N,N-dimethyl-acetamidine
CID 525285
N,N-Dimethyl-N'-propyl-isobutyramidine
CID 525846
N,N-dimethyl-N'-propylpropanimidamide
CID 22211913
N,N-Diethyl-N'-propylacetamidine
CID 519058
1-Butyl-2-ethyl-4,5-dihydroimidazole
CID 86103198

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N-propylethanimidamide?
The IUPAC name of N-ethyl-N'-methyl-N-propylethanimidamide (CID 142132278) is N-ethyl-N'-methyl-N-propylethanimidamide.
What is the SMILES notation for N-ethyl-N'-methyl-N-propylethanimidamide?
The canonical SMILES for N-ethyl-N'-methyl-N-propylethanimidamide is CCCN(CC)/C(C)=N/C.
What is the InChIKey of N-ethyl-N'-methyl-N-propylethanimidamide?
The InChIKey is JTCOMXSUIRSMAE-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-7-10(6-2)8(3)9-4/h5-7H2,1-4H3/b9-8+.
What are the key properties of N-ethyl-N'-methyl-N-propylethanimidamide?
N-ethyl-N'-methyl-N-propylethanimidamide 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-ethyl-N'-methyl-N-propylethanimidamide is sourced from PubChem (CID 142132278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).