(2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine

C11H21N — CID 59063527

IUPAC(2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine
SMILESCC1CC2CCC([C@H]1C)C2(C)N
InChIInChI=1S/C11H21N/c1-7-6-9-4-5-10(8(7)2)11(9,3)12/h7-10H,4-6,12H2,1-3H3/t7?,8-,9?,10?,11?/m0/s1
InChIKeyWGMSPFDULNCZLX-YUMZJUHSSA-N
MW167.30 g/mol
LogP2.41
Rot. Bonds

About (2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine

(2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine (PubChem CID 59063527) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine
PubChem CID59063527
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine
SMILESCC1CC2CCC([C@H]1C)C2(C)N
InChIInChI=1S/C11H21N/c1-7-6-9-4-5-10(8(7)2)11(9,3)12/h7-10H,4-6,12H2,1-3H3/t7?,8-,9?,10?,11?/m0/s1
InChIKeyWGMSPFDULNCZLX-YUMZJUHSSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine?
The IUPAC name of (2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine (CID 59063527) is (2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine is CC1CC2CCC([C@H]1C)C2(C)N.
What is the InChIKey of (2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine?
The InChIKey is WGMSPFDULNCZLX-YUMZJUHSSA-N. The full InChI is InChI=1S/C11H21N/c1-7-6-9-4-5-10(8(7)2)11(9,3)12/h7-10H,4-6,12H2,1-3H3/t7?,8-,9?,10?,11?/m0/s1.
What are the key properties of (2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine?
(2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine has a molecular weight of 167.30 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,8-trimethylbicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 59063527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).