(4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane

C8H15N — CID 129108201

IUPAC(4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane
SMILESCC1[C@H]2CCC(C2)N1C
InChIInChI=1S/C8H15N/c1-6-7-3-4-8(5-7)9(6)2/h6-8H,3-5H2,1-2H3/t6?,7-,8?/m0/s1
InChIKeyOTGXXEKRANBZKC-WTIBDHCWSA-N
MW125.21 g/mol
LogP1.49
Rot. Bonds

About (4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane

(4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane (PubChem CID 129108201) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane
PubChem CID129108201
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane
SMILESCC1[C@H]2CCC(C2)N1C
InChIInChI=1S/C8H15N/c1-6-7-3-4-8(5-7)9(6)2/h6-8H,3-5H2,1-2H3/t6?,7-,8?/m0/s1
InChIKeyOTGXXEKRANBZKC-WTIBDHCWSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 89434444
2-ethyl-3-methyl-2-azabicyclo[2.2.1]heptane
CID 90937023
(1R,4S)-3-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane
CID 157364347
[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 10582877
10-methyl-10-azatricyclo[9.6.2.12,9]icosane
CID 134213267
[(1S,3S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 54244939
3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane
CID 168881501
(1R)-2,7-dimethyl-7-azabicyclo[2.2.1]heptane
CID 126540948
(1R,5R)-3-chloro-8-methyl-8-azabicyclo[3.2.1]octane
CID 98059828
(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146238903
8-methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)disulfanyl]-8-azabicyclo[3.2.1]octane
CID 140763000
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052

Frequently Asked Questions

What is the IUPAC name of (4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane (CID 129108201) is (4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane is CC1[C@H]2CCC(C2)N1C.
What is the InChIKey of (4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is OTGXXEKRANBZKC-WTIBDHCWSA-N. The full InChI is InChI=1S/C8H15N/c1-6-7-3-4-8(5-7)9(6)2/h6-8H,3-5H2,1-2H3/t6?,7-,8?/m0/s1.
What are the key properties of (4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane?
(4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 125.21 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,3-dimethyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 129108201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).