(1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol

C11H21NO — CID 22217643

IUPAC(1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol
SMILESCN[C@@H]1[C@H](O)[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C11H21NO/c1-10(2)7-5-6-11(10,3)9(12-4)8(7)13/h7-9,12-13H,5-6H2,1-4H3/t7-,8+,9+,11+/m0/s1
InChIKeySXJUXNUAAYXWSG-YSSBGUOXSA-N
MW183.29 g/mol
LogP1.39
Rot. Bonds1

About (1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol

(1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol (PubChem CID 22217643) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol
PubChem CID22217643
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol
SMILESCN[C@@H]1[C@H](O)[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C11H21NO/c1-10(2)7-5-6-11(10,3)9(12-4)8(7)13/h7-9,12-13H,5-6H2,1-4H3/t7-,8+,9+,11+/m0/s1
InChIKeySXJUXNUAAYXWSG-YSSBGUOXSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
(1R,2R,3S)-4,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820197
3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 547533
(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124910474
(2R,3R,4S)-1,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820101
[(1R,2R,3R,4R)-3-(carbamoylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 100805855
(1R,2R,3S,4S)-3-[[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]diselanyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 15349595
1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol
CID 14764693
(1R,2R,3S,4R)-3-(2-hydroxyethylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124768497
ethyl N-[(1R,2S,3R,4S)-3-(ethoxycarbonylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 11868331
(1S,2S,3R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diamine
CID 18389887
(1R,2S,3R,4R)-3-(butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 98129574

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol (CID 22217643) is (1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol is CN[C@@H]1[C@H](O)[C@@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of (1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is SXJUXNUAAYXWSG-YSSBGUOXSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)7-5-6-11(10,3)9(12-4)8(7)13/h7-9,12-13H,5-6H2,1-4H3/t7-,8+,9+,11+/m0/s1.
What are the key properties of (1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol?
(1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 22217643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).