[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol

C17H25NO — CID 66418709

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCC2Cc3ccccc32)C1
InChIInChI=1S/C17H25NO/c1-13-5-4-8-17(10-13,12-19)18-11-15-9-14-6-2-3-7-16(14)15/h2-3,6-7,13,15,18-19H,4-5,8-12H2,1H3
InChIKeyUEKISHCBNOFPCK-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.86
Rot. Bonds4

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol (PubChem CID 66418709) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol
PubChem CID66418709
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCC2Cc3ccccc32)C1
InChIInChI=1S/C17H25NO/c1-13-5-4-8-17(10-13,12-19)18-11-15-9-14-6-2-3-7-16(14)15/h2-3,6-7,13,15,18-19H,4-5,8-12H2,1H3
InChIKeyUEKISHCBNOFPCK-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol with MolForge

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Related Compounds

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol
CID 66418515
[1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-4-methylcyclohexyl]methanol
CID 79220776
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
CID 62551147
[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol
CID 116789037
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine
CID 114095834
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-methylcyclohexyl]methanamine
CID 66417314
[1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol
CID 80648578
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
CID 62553513

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol (CID 66418709) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCC2Cc3ccccc32)C1.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol?
The InChIKey is UEKISHCBNOFPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-5-4-8-17(10-13,12-19)18-11-15-9-14-6-2-3-7-16(14)15/h2-3,6-7,13,15,18-19H,4-5,8-12H2,1H3.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 66418709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).