[1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol

C18H33NO — CID 81412425

IUPAC[1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol
SMILESCC1(C)C2CCC1(C)C(NCC1(CO)CCCCC1)C2
InChIInChI=1S/C18H33NO/c1-16(2)14-7-10-17(16,3)15(11-14)19-12-18(13-20)8-5-4-6-9-18/h14-15,19-20H,4-13H2,1-3H3
InChIKeyHLHLLGAFSXZOEV-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.73
Rot. Bonds4

About [1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol

[1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol (PubChem CID 81412425) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is [1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol
PubChem CID81412425
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name[1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol
SMILESCC1(C)C2CCC1(C)C(NCC1(CO)CCCCC1)C2
InChIInChI=1S/C18H33NO/c1-16(2)14-7-10-17(16,3)15(11-14)19-12-18(13-20)8-5-4-6-9-18/h14-15,19-20H,4-13H2,1-3H3
InChIKeyHLHLLGAFSXZOEV-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-1-ol
CID 106841082
(1S,2R,4R)-1,7,7-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 98119738
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
[1-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol
CID 81418548
2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propane-1,3-diol
CID 103952078
(1S)-N-but-2-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103905893
N-methyl-2-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 103951928
N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63828343
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoic acid
CID 65347721
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760

Frequently Asked Questions

What is the IUPAC name of [1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol (CID 81412425) is [1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol is CC1(C)C2CCC1(C)C(NCC1(CO)CCCCC1)C2.
What is the InChIKey of [1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is HLHLLGAFSXZOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-16(2)14-7-10-17(16,3)15(11-14)19-12-18(13-20)8-5-4-6-9-18/h14-15,19-20H,4-13H2,1-3H3.
What are the key properties of [1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol?
[1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 279.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81412425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).