ethane;N-ethyl-N'-methyl-N-propylethanimidamide

C10H24N2 — CID 142132277

IUPACethane;N-ethyl-N'-methyl-N-propylethanimidamide
SMILESCC.CCCN(CC)/C(C)=N/C
InChIInChI=1S/C8H18N2.C2H6/c1-5-7-10(6-2)8(3)9-4;1-2/h5-7H2,1-4H3;1-2H3/b9-8+;
InChIKeyRKADHKWEEAGBRW-HRNDJLQDSA-N
MW172.32 g/mol
LogP2.79
Rot. Bonds3

About ethane;N-ethyl-N'-methyl-N-propylethanimidamide

ethane;N-ethyl-N'-methyl-N-propylethanimidamide (PubChem CID 142132277) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is ethane;N-ethyl-N'-methyl-N-propylethanimidamide.

Molecular Properties

Compound Nameethane;N-ethyl-N'-methyl-N-propylethanimidamide
PubChem CID142132277
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Nameethane;N-ethyl-N'-methyl-N-propylethanimidamide
SMILESCC.CCCN(CC)/C(C)=N/C
InChIInChI=1S/C8H18N2.C2H6/c1-5-7-10(6-2)8(3)9-4;1-2/h5-7H2,1-4H3;1-2H3/b9-8+;
InChIKeyRKADHKWEEAGBRW-HRNDJLQDSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.79
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 ethane;N-ethyl-N'-methyl-N-propylethanimidamide?
The IUPAC name of ethane;N-ethyl-N'-methyl-N-propylethanimidamide (CID 142132277) is ethane;N-ethyl-N'-methyl-N-propylethanimidamide.
What is the SMILES notation for ethane;N-ethyl-N'-methyl-N-propylethanimidamide?
The canonical SMILES for ethane;N-ethyl-N'-methyl-N-propylethanimidamide is CC.CCCN(CC)/C(C)=N/C.
What is the InChIKey of ethane;N-ethyl-N'-methyl-N-propylethanimidamide?
The InChIKey is RKADHKWEEAGBRW-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H18N2.C2H6/c1-5-7-10(6-2)8(3)9-4;1-2/h5-7H2,1-4H3;1-2H3/b9-8+;.
What are the key properties of ethane;N-ethyl-N'-methyl-N-propylethanimidamide?
ethane;N-ethyl-N'-methyl-N-propylethanimidamide has a molecular weight of 172.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N'-methyl-N-propylethanimidamide is sourced from PubChem (CID 142132277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).