1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol

C17H31NO — CID 60710714

IUPAC1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)C1CC2CCC1C2
InChIInChI=1S/C17H31NO/c1-13(16-11-14-6-7-15(16)10-14)18-12-17(19)8-4-2-3-5-9-17/h13-16,18-19H,2-12H2,1H3
InChIKeyZISMDKGTHCRZOQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.49
Rot. Bonds4

About 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol

1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 60710714) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID60710714
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)C1CC2CCC1C2
InChIInChI=1S/C17H31NO/c1-13(16-11-14-6-7-15(16)10-14)18-12-17(19)8-4-2-3-5-9-17/h13-16,18-19H,2-12H2,1H3
InChIKeyZISMDKGTHCRZOQ-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol with MolForge

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Related Compounds

(5R)-8-(methylaminomethyl)bicyclo[3.2.1]octan-8-ol
CID 138479736
1-(2-Bicyclo[2.2.1]heptanyl)-2-(propan-2-ylamino)ethanol
CID 4354561
1-[[(2-Ethylcyclohexyl)amino]methyl]cycloheptan-1-ol
CID 54955729
1-[[(2-Methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 55013856
1-[(1-Cyclohexylethylamino)methyl]cycloheptan-1-ol
CID 55069457
1-[(2-Bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexan-1-ol
CID 55234031
1-[[(2,3-Dimethylcyclohexyl)amino]methyl]cycloheptan-1-ol
CID 60710575
1-[[(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cycloheptan-1-ol
CID 60710621
1-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-methylpropan-2-ol
CID 60885277
1-[[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]methyl]cyclohexan-1-ol
CID 60896594
2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]cycloheptan-1-ol
CID 60897350
1-[[(4-Ethylcyclohexyl)amino]methyl]cycloheptan-1-ol
CID 60969055

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol (CID 60710714) is 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol is CC(NCC1(O)CCCCCC1)C1CC2CCC1C2.
What is the InChIKey of 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is ZISMDKGTHCRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13(16-11-14-6-7-15(16)10-14)18-12-17(19)8-4-2-3-5-9-17/h13-16,18-19H,2-12H2,1H3.
What are the key properties of 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol?
1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 60710714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).