8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

C17H32N2O — CID 63768584

IUPAC8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNCC1(CN2C3CCC2CC(O)C3)CCCCC1
InChIInChI=1S/C17H32N2O/c1-2-18-12-17(8-4-3-5-9-17)13-19-14-6-7-15(19)11-16(20)10-14/h14-16,18,20H,2-13H2,1H3
InChIKeyNSUQSHIJDPEDQI-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.53
Rot. Bonds5

About 8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768584) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768584
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNCC1(CN2C3CCC2CC(O)C3)CCCCC1
InChIInChI=1S/C17H32N2O/c1-2-18-12-17(8-4-3-5-9-17)13-19-14-6-7-15(19)11-16(20)10-14/h14-16,18,20H,2-13H2,1H3
InChIKeyNSUQSHIJDPEDQI-UHFFFAOYSA-N
XLogP2.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65006543
8-[[4-(propylaminomethyl)oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770336
N-[[1-(cyclopentylmethyl)cyclohexyl]methyl]ethanamine
CID 63507298
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine
CID 79184587
8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770155
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 113336169
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79184034
1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967293
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 113418861
N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051871
N-[[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 102967157
N-[[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)cycloheptyl]methyl]ethanamine
CID 82751479

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63768584) is 8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCNCC1(CN2C3CCC2CC(O)C3)CCCCC1.
What is the InChIKey of 8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NSUQSHIJDPEDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-18-12-17(8-4-3-5-9-17)13-19-14-6-7-15(19)11-16(20)10-14/h14-16,18,20H,2-13H2,1H3.
What are the key properties of 8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 280.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(ethylaminomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).