(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine

C10H19N — CID 20598745

IUPAC(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
SMILESC[C@@H]1[C@@H](N)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C10H19N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9H,4-5,11H2,1-3H3/t6-,7+,8-,9-/m0/s1
InChIKeyVPTSZLVPZCTAHZ-KZVJFYERSA-N
MW153.27 g/mol
LogP2.02
Rot. Bonds

About (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine

(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine (PubChem CID 20598745) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
PubChem CID20598745
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
SMILESC[C@@H]1[C@@H](N)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C10H19N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9H,4-5,11H2,1-3H3/t6-,7+,8-,9-/m0/s1
InChIKeyVPTSZLVPZCTAHZ-KZVJFYERSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(-)-Isopinocampheylamine
CID 11744832
Bicyclo[3.1.1]heptane-2-methanamine, 6,6-dimethyl-, (1R,2S,5R)-rel-
CID 12732837
[(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl]amine
CID 315165
2,6,6-Trimethyl-bicyclo(3.1.1)hept-3-ylamine
CID 426589
Myrtanylamine, cis-(-)-
CID 11194443
Bicyclo(3.1.1)heptane-3-methanamine, 2,6,6-trimethyl-
CID 106576
(1R,2R,3R,5S)-(-)-Isopinocampheylamine
CID 12173149
[1R-(1alpha,2beta,3alpha,5alpha)]-pinane-3-methylammonium chloride
CID 78358523
Bicyclo[3.1.1]heptane-3-methanamine, 2,6,6-trimethyl-, hydrochloride (1:1)
CID 106575
(1R,2R,3R,5S)-2,6,6-trimethyl-N-propan-2-ylbicyclo[3.1.1]heptan-3-amine
CID 51032068
cis-Myrtanylamine
CID 12732836
(1R,2R,3R,5S)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine;hydrochloride
CID 51032063

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The IUPAC name of (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine (CID 20598745) is (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine is C[C@@H]1[C@@H](N)C[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The InChIKey is VPTSZLVPZCTAHZ-KZVJFYERSA-N. The full InChI is InChI=1S/C10H19N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9H,4-5,11H2,1-3H3/t6-,7+,8-,9-/m0/s1.
What are the key properties of (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 20598745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).