(1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane

C18H34N2 — CID 168752476

IUPAC(1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)C1[C@]2(C)CN(C3CCN(C(C)C)CC3)C[C@]12C
InChIInChI=1S/C18H34N2/c1-13(2)16-17(5)11-20(12-18(16,17)6)15-7-9-19(10-8-15)14(3)4/h13-16H,7-12H2,1-6H3/t16?,17-,18+
InChIKeyAOONBPSTLZKDDR-AYHJJNSGSA-N
MW278.48 g/mol
LogP3.47
Rot. Bonds3

About (1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane

(1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 168752476) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is (1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID168752476
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name(1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)C1[C@]2(C)CN(C3CCN(C(C)C)CC3)C[C@]12C
InChIInChI=1S/C18H34N2/c1-13(2)16-17(5)11-20(12-18(16,17)6)15-7-9-19(10-8-15)14(3)4/h13-16H,7-12H2,1-6H3/t16?,17-,18+
InChIKeyAOONBPSTLZKDDR-AYHJJNSGSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine
CID 156546461
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
4-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 156546117
1,4-di(propan-2-yl)piperidine
CID 21303253
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628
(6S)-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97138743
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 146498238
(1-propan-2-ylpiperidin-4-yl)arsane
CID 173205346
1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65065657

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane (CID 168752476) is (1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane is CC(C)C1[C@]2(C)CN(C3CCN(C(C)C)CC3)C[C@]12C.
What is the InChIKey of (1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is AOONBPSTLZKDDR-AYHJJNSGSA-N. The full InChI is InChI=1S/C18H34N2/c1-13(2)16-17(5)11-20(12-18(16,17)6)15-7-9-19(10-8-15)14(3)4/h13-16H,7-12H2,1-6H3/t16?,17-,18+.
What are the key properties of (1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane?
(1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 278.48 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1,5-dimethyl-6-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 168752476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).