1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol

C13H25NO — CID 14764693

IUPAC1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol
SMILESCC(C)NC1C2CCC(C)(C1O)C2(C)C
InChIInChI=1S/C13H25NO/c1-8(2)14-10-9-6-7-13(5,11(10)15)12(9,3)4/h8-11,14-15H,6-7H2,1-5H3
InChIKeyIWGYJHDDYSVXID-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.17
Rot. Bonds2

About 1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol

1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol (PubChem CID 14764693) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol
PubChem CID14764693
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol
SMILESCC(C)NC1C2CCC(C)(C1O)C2(C)C
InChIInChI=1S/C13H25NO/c1-8(2)14-10-9-6-7-13(5,11(10)15)12(9,3)4/h8-11,14-15H,6-7H2,1-5H3
InChIKeyIWGYJHDDYSVXID-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124910474
(1R,2R,3S,4R)-3-(2-hydroxyethylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124768497
(1R,2S,3R,4R)-3-(butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 98129574
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol
CID 102377382
ethyl N-[(1S,2R,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 7054096
(2R,3R,4S)-1,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820101
(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
N-[(2R,3S)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-(pyrrolidine-1-carbonyl)benzamide
CID 139247777
1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
CID 14559512
(1R)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 91115294
(1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124677295

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol (CID 14764693) is 1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol is CC(C)NC1C2CCC(C)(C1O)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is IWGYJHDDYSVXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-8(2)14-10-9-6-7-13(5,11(10)15)12(9,3)4/h8-11,14-15H,6-7H2,1-5H3.
What are the key properties of 1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol?
1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 14764693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).