3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane

C20H38N2 — CID 158420650

IUPAC3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC1C2CN(C(C)(C)C)CC12.CN1CC2C(C1)C2C(C)(C)C
InChIInChI=1S/2C10H19N/c1-10(2,3)9-7-5-11(4)6-8(7)9;1-7-8-5-11(6-9(7)8)10(2,3)4/h2*7-9H,5-6H2,1-4H3
InChIKeyHALHTGIWHCJPSV-UHFFFAOYSA-N
MW306.54 g/mol
LogP3.82
Rot. Bonds

About 3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane

3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 158420650) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID158420650
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC1C2CN(C(C)(C)C)CC12.CN1CC2C(C1)C2C(C)(C)C
InChIInChI=1S/2C10H19N/c1-10(2,3)9-7-5-11(4)6-8(7)9;1-7-8-5-11(6-9(7)8)10(2,3)4/h2*7-9H,5-6H2,1-4H3
InChIKeyHALHTGIWHCJPSV-UHFFFAOYSA-N
XLogP3.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane
CID 178147119
5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 22943643
(3aR,6aS)-5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 90292242
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044
7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane
CID 166559685
3,6-ditert-butyl-2,4-dimethyl-3-azabicyclo[3.1.1]heptane
CID 138627504
2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59655988
1,3,5-tritert-butylpiperidine
CID 118013533
3-[(1R,5S)-6-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-ol
CID 121385798
(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
CID 11889808
1-tert-butylpyrrolidine-3,4-diamine
CID 89335821
(4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
CID 10702612

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane (CID 158420650) is 3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane is CC1C2CN(C(C)(C)C)CC12.CN1CC2C(C1)C2C(C)(C)C.
What is the InChIKey of 3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is HALHTGIWHCJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N/c1-10(2,3)9-7-5-11(4)6-8(7)9;1-7-8-5-11(6-9(7)8)10(2,3)4/h2*7-9H,5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane?
3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 306.54 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 158420650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).