1,3-diethyl-2-methyl-1,3-diazinane

C9H20N2 — CID 12634508

IUPAC1,3-diethyl-2-methyl-1,3-diazinane
SMILESCCN1CCCN(CC)C1C
InChIInChI=1S/C9H20N2/c1-4-10-7-6-8-11(5-2)9(10)3/h9H,4-8H2,1-3H3
InChIKeyVLUQSQIDSZAISP-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.38
Rot. Bonds2

About 1,3-diethyl-2-methyl-1,3-diazinane

1,3-diethyl-2-methyl-1,3-diazinane (PubChem CID 12634508) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1,3-diethyl-2-methyl-1,3-diazinane.

Molecular Properties

Compound Name1,3-diethyl-2-methyl-1,3-diazinane
PubChem CID12634508
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1,3-diethyl-2-methyl-1,3-diazinane
SMILESCCN1CCCN(CC)C1C
InChIInChI=1S/C9H20N2/c1-4-10-7-6-8-11(5-2)9(10)3/h9H,4-8H2,1-3H3
InChIKeyVLUQSQIDSZAISP-UHFFFAOYSA-N
XLogP1.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-Triethylhexahydro-1,3,5-triazine
CID 24512
N,N',N''-Tris(3-dimethylaminopropyl)hexahydro-S-triazine
CID 85160
Methanediamine, N,N,N',N'-tetrapropyl-
CID 82551
1,3,5-Triazine, 1,3,5-tributylhexahydro-
CID 83069
2(1H)-Pyrimidinethione, tetrahydro-1,3-diethyl-
CID 207806
1,3,5-Triazine, hexahydro-1,3,5-tripropyl-
CID 83068
Pyrimidine, hexahydro-1,3-dimethyl-
CID 139186
2(1H)-Pyrimidinethione, tetrahydro-1,3-dipropyl-
CID 207807
1,3-Di(propan-2-yl)hexahydropyrimidine
CID 12634509
3-[3,5-bis[3-(diethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-diethylpropan-1-amine
CID 350168
1,3-Dimethylhexahydropyrimidine--hydrogen chloride (1/1)
CID 54601503
1,3-Dimethyl-1,3-diazinane dihydrochloride
CID 131874566

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-methyl-1,3-diazinane?
The IUPAC name of 1,3-diethyl-2-methyl-1,3-diazinane (CID 12634508) is 1,3-diethyl-2-methyl-1,3-diazinane.
What is the SMILES notation for 1,3-diethyl-2-methyl-1,3-diazinane?
The canonical SMILES for 1,3-diethyl-2-methyl-1,3-diazinane is CCN1CCCN(CC)C1C.
What is the InChIKey of 1,3-diethyl-2-methyl-1,3-diazinane?
The InChIKey is VLUQSQIDSZAISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-10-7-6-8-11(5-2)9(10)3/h9H,4-8H2,1-3H3.
What are the key properties of 1,3-diethyl-2-methyl-1,3-diazinane?
1,3-diethyl-2-methyl-1,3-diazinane has a molecular weight of 156.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-methyl-1,3-diazinane is sourced from PubChem (CID 12634508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).