(1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol

C9H17NO — CID 101188947

IUPAC(1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol
SMILESCC1(C)[C@H]2CC[C@]1(O)[C@@H](N)C2
InChIInChI=1S/C9H17NO/c1-8(2)6-3-4-9(8,11)7(10)5-6/h6-7,11H,3-5,10H2,1-2H3/t6-,7-,9-/m0/s1
InChIKeyCVWWLXGDDQAABL-ZKWXMUAHSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds

About (1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol

(1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol (PubChem CID 101188947) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol.

Molecular Properties

Compound Name(1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol
PubChem CID101188947
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol
SMILESCC1(C)[C@H]2CC[C@]1(O)[C@@H](N)C2
InChIInChI=1S/C9H17NO/c1-8(2)6-3-4-9(8,11)7(10)5-6/h6-7,11H,3-5,10H2,1-2H3/t6-,7-,9-/m0/s1
InChIKeyCVWWLXGDDQAABL-ZKWXMUAHSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 44717056
(1R,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 55268536
(1R,3S,6S,7S,8R)-2,2,6-trimethyltricyclo[5.3.1.03,8]undecan-3-ol
CID 98047174
(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 126970080
(1R,2R,3S,5R)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 10986679
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
CID 130854529
1-methyl-1-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]hydrazine
CID 129463430
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol?
The IUPAC name of (1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol (CID 101188947) is (1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol.
What is the SMILES notation for (1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol?
The canonical SMILES for (1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol is CC1(C)[C@H]2CC[C@]1(O)[C@@H](N)C2.
What is the InChIKey of (1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol?
The InChIKey is CVWWLXGDDQAABL-ZKWXMUAHSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)6-3-4-9(8,11)7(10)5-6/h6-7,11H,3-5,10H2,1-2H3/t6-,7-,9-/m0/s1.
What are the key properties of (1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol?
(1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-2-amino-7,7-dimethylbicyclo[2.2.1]heptan-1-ol is sourced from PubChem (CID 101188947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).