2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

C9H17NO — CID 91184930

IUPAC2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1C(N)(O)C2
InChIInChI=1S/C9H17NO/c1-8(2)6-3-4-7(8)9(10,11)5-6/h6-7,11H,3-5,10H2,1-2H3
InChIKeyKLUIGTROPVAQPV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.09
Rot. Bonds

About 2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 91184930) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID91184930
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1C(N)(O)C2
InChIInChI=1S/C9H17NO/c1-8(2)6-3-4-7(8)9(10,11)5-6/h6-7,11H,3-5,10H2,1-2H3
InChIKeyKLUIGTROPVAQPV-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,4S)-2-chloro-2,7,7-trimethylbicyclo[2.2.1]heptane
CID 22215204
(1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine
CID 164833769
2-amino-6,6-dimethylbicyclo[3.1.1]heptane-2,3-diol
CID 102113359
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
(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
(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636
(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 178190368
(1R,4R,6S,9R,10S,13S,14S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,14-diol
CID 162948206
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260

Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 91184930) is 2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1C(N)(O)C2.
What is the InChIKey of 2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is KLUIGTROPVAQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)6-3-4-7(8)9(10,11)5-6/h6-7,11H,3-5,10H2,1-2H3.
What are the key properties of 2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 91184930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).