4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol

C19H35NO — CID 115400849

IUPAC4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNC2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1
InChIInChI=1S/C19H35NO/c1-16(2)8-10-19(21,11-9-16)13-20-15-17(3,4)14-6-7-18(15,5)12-14/h14-15,20-21H,6-13H2,1-5H3/t14-,15?,18+/m0/s1
InChIKeyXRMRVIHXPRRLHW-YWQITRNNSA-N
MW293.50 g/mol
LogP4.12
Rot. Bonds3

About 4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol

4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol (PubChem CID 115400849) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol
PubChem CID115400849
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNC2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1
InChIInChI=1S/C19H35NO/c1-16(2)8-10-19(21,11-9-16)13-20-15-17(3,4)14-6-7-18(15,5)12-14/h14-15,20-21H,6-13H2,1-5H3/t14-,15?,18+/m0/s1
InChIKeyXRMRVIHXPRRLHW-YWQITRNNSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

Exo-1-[(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-ylamino)-methyl]-cyclohexanol
CID 61518777
1-[[(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol
CID 60710621
2-[(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol
CID 60714601
1-[[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol
CID 60896594
1-[[(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexan-1-ol
CID 64464174
2-Methyl-1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propan-2-ol
CID 64464176
N-(2-cyclohexyloxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 64464489
1-[[(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol
CID 64465156
2-[(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol
CID 64466624
4-[(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl)amino]cyclohexan-1-ol
CID 64466786
4-Methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentan-1-ol
CID 64467013
2-Methyl-1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol
CID 65102967

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol (CID 115400849) is 4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNC2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1.
What is the InChIKey of 4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is XRMRVIHXPRRLHW-YWQITRNNSA-N. The full InChI is InChI=1S/C19H35NO/c1-16(2)8-10-19(21,11-9-16)13-20-15-17(3,4)14-6-7-18(15,5)12-14/h14-15,20-21H,6-13H2,1-5H3/t14-,15?,18+/m0/s1.
What are the key properties of 4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 293.50 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115400849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).