(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane

C12H23N — CID 166773781

IUPAC(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)C1C[C@@H]2CC1CN2C(C)C
InChIInChI=1S/C12H23N/c1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h8-12H,5-7H2,1-4H3/t10?,11-,12?/m0/s1
InChIKeyMXUJGRSXHHQOEE-CXQJBGSLSA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds2

About (1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane

(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane (PubChem CID 166773781) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
PubChem CID166773781
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)C1C[C@@H]2CC1CN2C(C)C
InChIInChI=1S/C12H23N/c1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h8-12H,5-7H2,1-4H3/t10?,11-,12?/m0/s1
InChIKeyMXUJGRSXHHQOEE-CXQJBGSLSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 130224407
ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 177191821
6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol
CID 117050678
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane
CID 166831910
3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane
CID 171046370
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886
6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
CID 171591162
(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 126658236
(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine
CID 172546338
6-propan-2-yl-6-azabicyclo[3.2.1]octane
CID 45095908

Frequently Asked Questions

What is the IUPAC name of (1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane (CID 166773781) is (1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane is CC(C)C1C[C@@H]2CC1CN2C(C)C.
What is the InChIKey of (1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is MXUJGRSXHHQOEE-CXQJBGSLSA-N. The full InChI is InChI=1S/C12H23N/c1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h8-12H,5-7H2,1-4H3/t10?,11-,12?/m0/s1.
What are the key properties of (1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane?
(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 181.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 166773781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).