1-ethyl-3-methyl-1,3-diazinane

C7H16N2 — CID 22044310

IUPAC1-ethyl-3-methyl-1,3-diazinane
SMILESCCN1CCCN(C)C1
InChIInChI=1S/C7H16N2/c1-3-9-6-4-5-8(2)7-9/h3-7H2,1-2H3
InChIKeyMPGXKHWGDVZJIB-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.60
Rot. Bonds1

About 1-ethyl-3-methyl-1,3-diazinane

1-ethyl-3-methyl-1,3-diazinane (PubChem CID 22044310) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1,3-diazinane.

Molecular Properties

Compound Name1-ethyl-3-methyl-1,3-diazinane
PubChem CID22044310
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-ethyl-3-methyl-1,3-diazinane
SMILESCCN1CCCN(C)C1
InChIInChI=1S/C7H16N2/c1-3-9-6-4-5-8(2)7-9/h3-7H2,1-2H3
InChIKeyMPGXKHWGDVZJIB-UHFFFAOYSA-N
XLogP0.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-methylimidazolidine;phosphane;bromide
CID 167699735
acetic acid;1-ethyl-3-methylimidazolidine
CID 162317080
ethane;1-ethylpiperidine
CID 90845344
1,6-diethyl-1,6-diazecane
CID 172611513
1-ethylpyrrolidine;hydrofluoride
CID 163271504
1-ethylpiperidine
CID 13007
2-(3-ethyl-1,3-diazinan-1-yl)acetonitrile
CID 155330372
1-ethylpiperidine;1-methylpiperidine;oxane
CID 164954592
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
1-ethylpiperidine;methane
CID 162133943
1-(diazinan-1-ylmethyl)-3-methyl-1,3-diazinane
CID 167260336
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1,3-diazinane?
The IUPAC name of 1-ethyl-3-methyl-1,3-diazinane (CID 22044310) is 1-ethyl-3-methyl-1,3-diazinane.
What is the SMILES notation for 1-ethyl-3-methyl-1,3-diazinane?
The canonical SMILES for 1-ethyl-3-methyl-1,3-diazinane is CCN1CCCN(C)C1.
What is the InChIKey of 1-ethyl-3-methyl-1,3-diazinane?
The InChIKey is MPGXKHWGDVZJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-9-6-4-5-8(2)7-9/h3-7H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-1,3-diazinane?
1-ethyl-3-methyl-1,3-diazinane has a molecular weight of 128.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1,3-diazinane is sourced from PubChem (CID 22044310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).