6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane

C9H18N2 — CID 167300749

IUPAC6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane
SMILESCC(C)N1CCC2C1CN2C
InChIInChI=1S/C9H18N2/c1-7(2)11-5-4-8-9(11)6-10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyRJQSBCYIGNCPKI-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.78
Rot. Bonds1

About 6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane

6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane (PubChem CID 167300749) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane
PubChem CID167300749
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane
SMILESCC(C)N1CCC2C1CN2C
InChIInChI=1S/C9H18N2/c1-7(2)11-5-4-8-9(11)6-10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyRJQSBCYIGNCPKI-UHFFFAOYSA-N
XLogP0.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-propan-2-yl-7-sulfanyl-2,7-diazabicyclo[4.2.0]octane
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1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58339116
2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane
CID 176748091
6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 89346367
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane
CID 176657759
5-tert-butyl-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 170939617
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886
(2R,4S)-2-cyclopropyl-1,4-di(propan-2-yl)piperidine
CID 174295504
(3aR,7aS)-1-methyl-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 58315229
7-propan-2-yl-2-[5-(7-propan-2-yl-2,7-diazabicyclo[4.2.0]octan-2-yl)hexan-2-yl]-2,7-diazabicyclo[4.2.0]octane
CID 135176148

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane (CID 167300749) is 6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane is CC(C)N1CCC2C1CN2C.
What is the InChIKey of 6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane?
The InChIKey is RJQSBCYIGNCPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-5-4-8-9(11)6-10(8)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane?
6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane has a molecular weight of 154.26 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 167300749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).