(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

C9H17N — CID 58030182

IUPAC(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC1[C@H]2CN(C(C)C)C[C@@H]12
InChIInChI=1S/C9H17N/c1-6(2)10-4-8-7(3)9(8)5-10/h6-9H,4-5H2,1-3H3/t7?,8-,9+
InChIKeyGCOQMMGBNAQGCB-CBLAIPOGSA-N
MW139.24 g/mol
LogP1.59
Rot. Bonds1

About (1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 58030182) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID58030182
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC1[C@H]2CN(C(C)C)C[C@@H]12
InChIInChI=1S/C9H17N/c1-6(2)10-4-8-7(3)9(8)5-10/h6-9H,4-5H2,1-3H3/t7?,8-,9+
InChIKeyGCOQMMGBNAQGCB-CBLAIPOGSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176763978
3-(4-chlorobutan-2-yl)-6-methyl-3-azabicyclo[3.1.0]hexane
CID 143091782
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
CID 163526675
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
1-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)hydrazine
CID 170035370
3,5-dimethyl-1,4-di(propan-2-yl)piperidine
CID 171506139
(3aR,6aS)-5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166871486
5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129015187
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
CID 168910991
3,4,4,5-tetramethyl-1-propan-2-ylpiperidine
CID 121288182
2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 67401281

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 58030182) is (1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC1[C@H]2CN(C(C)C)C[C@@H]12.
What is the InChIKey of (1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is GCOQMMGBNAQGCB-CBLAIPOGSA-N. The full InChI is InChI=1S/C9H17N/c1-6(2)10-4-8-7(3)9(8)5-10/h6-9H,4-5H2,1-3H3/t7?,8-,9+.
What are the key properties of (1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 139.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 58030182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).