(3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane

C14H27N — CID 139299260

IUPAC(3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane
SMILESCC(C)C1C2C[C@@H](C(C)C)N(C(C)C)C21
InChIInChI=1S/C14H27N/c1-8(2)12-7-11-13(9(3)4)14(11)15(12)10(5)6/h8-14H,7H2,1-6H3/t11?,12-,13?,14?/m0/s1
InChIKeyXAFCZXDNSILNML-UDXKHGJESA-N
MW209.38 g/mol
LogP3.40
Rot. Bonds3

About (3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane

(3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane (PubChem CID 139299260) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane
PubChem CID139299260
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane
SMILESCC(C)C1C2C[C@@H](C(C)C)N(C(C)C)C21
InChIInChI=1S/C14H27N/c1-8(2)12-7-11-13(9(3)4)14(11)15(12)10(5)6/h8-14H,7H2,1-6H3/t11?,12-,13?,14?/m0/s1
InChIKeyXAFCZXDNSILNML-UDXKHGJESA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,5-tri(propan-2-yl)pyrrolidine
CID 58779096
(2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
CID 167560206
3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 147755667
ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 166462217
3-propan-2-yltricyclo[3.1.1.12,4]octane
CID 176821598
2,3,9-tri(propan-2-yl)-9-azabicyclo[3.3.1]nonane
CID 58449983
(2R)-1-methyl-2-propan-2-ylaziridine
CID 140882357
8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
CID 59450891
2-methyl-5-propan-2-ylbicyclo[2.1.0]pentane
CID 91265668
3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 168740489
(3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol
CID 99134697
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane (CID 139299260) is (3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane is CC(C)C1C2C[C@@H](C(C)C)N(C(C)C)C21.
What is the InChIKey of (3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is XAFCZXDNSILNML-UDXKHGJESA-N. The full InChI is InChI=1S/C14H27N/c1-8(2)12-7-11-13(9(3)4)14(11)15(12)10(5)6/h8-14H,7H2,1-6H3/t11?,12-,13?,14?/m0/s1.
What are the key properties of (3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
(3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane has a molecular weight of 209.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 139299260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).