ethane;N,1,3-trimethyl-1,3-diazinan-2-imine

C9H21N3 — CID 162358230

IUPACethane;N,1,3-trimethyl-1,3-diazinan-2-imine
SMILESCC.CN=C1N(C)CCCN1C
InChIInChI=1S/C7H15N3.C2H6/c1-8-7-9(2)5-4-6-10(7)3;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyZCYXMFMCLSDPAI-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.27
Rot. Bonds

About ethane;N,1,3-trimethyl-1,3-diazinan-2-imine

ethane;N,1,3-trimethyl-1,3-diazinan-2-imine (PubChem CID 162358230) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is ethane;N,1,3-trimethyl-1,3-diazinan-2-imine.

Molecular Properties

Compound Nameethane;N,1,3-trimethyl-1,3-diazinan-2-imine
PubChem CID162358230
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Nameethane;N,1,3-trimethyl-1,3-diazinan-2-imine
SMILESCC.CN=C1N(C)CCCN1C
InChIInChI=1S/C7H15N3.C2H6/c1-8-7-9(2)5-4-6-10(7)3;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyZCYXMFMCLSDPAI-UHFFFAOYSA-N
XLogP1.27
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N,4-N,1,3-tetramethyl-1,3-diazetidine-2,4-diimine
CID 18740086
N-[2-[2-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]ethyldisulfanyl]ethyl]-1,3-dimethyl-1,3-diazinan-2-imine
CID 87887610
ethane;N,1,4,4-tetramethylazepan-2-imine
CID 155752075
1,3-dimethyl-N-phosphanylimidazolidin-2-imine
CID 166858707
4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane
CID 167707987
N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
CID 171055873
N-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]-1,3-dimethyl-1,3-diazinan-2-imine
CID 168819977
N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine
CID 166858736
1,3-dimethyl-1,3-diazepan-2-one
CID 27949
N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine
CID 177398047
1,3-dimethyl-2-(nitromethylidene)-1,3-diazinane
CID 18340104
N-(1-methylpyrrolidin-2-ylidene)hydroxylamine
CID 91177351

Frequently Asked Questions

What is the IUPAC name of ethane;N,1,3-trimethyl-1,3-diazinan-2-imine?
The IUPAC name of ethane;N,1,3-trimethyl-1,3-diazinan-2-imine (CID 162358230) is ethane;N,1,3-trimethyl-1,3-diazinan-2-imine.
What is the SMILES notation for ethane;N,1,3-trimethyl-1,3-diazinan-2-imine?
The canonical SMILES for ethane;N,1,3-trimethyl-1,3-diazinan-2-imine is CC.CN=C1N(C)CCCN1C.
What is the InChIKey of ethane;N,1,3-trimethyl-1,3-diazinan-2-imine?
The InChIKey is ZCYXMFMCLSDPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3.C2H6/c1-8-7-9(2)5-4-6-10(7)3;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;N,1,3-trimethyl-1,3-diazinan-2-imine?
ethane;N,1,3-trimethyl-1,3-diazinan-2-imine has a molecular weight of 171.29 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,1,3-trimethyl-1,3-diazinan-2-imine is sourced from PubChem (CID 162358230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).