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

C15H21NO — CID 66418515

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol
SMILESOCC1(NCC2Cc3ccccc32)CCCC1
InChIInChI=1S/C15H21NO/c17-11-15(7-3-4-8-15)16-10-13-9-12-5-1-2-6-14(12)13/h1-2,5-6,13,16-17H,3-4,7-11H2
InChIKeyIDSOTUCUFANLAF-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.22
Rot. Bonds4

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

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol (PubChem CID 66418515) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol
PubChem CID66418515
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol
SMILESOCC1(NCC2Cc3ccccc32)CCCC1
InChIInChI=1S/C15H21NO/c17-11-15(7-3-4-8-15)16-10-13-9-12-5-1-2-6-14(12)13/h1-2,5-6,13,16-17H,3-4,7-11H2
InChIKeyIDSOTUCUFANLAF-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol
CID 66418709
[1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol
CID 115924343
1-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97108739
1-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclobutane-1-carboxamide
CID 81179569
[1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-4-methylcyclohexyl]methanol
CID 79220776
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813123
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanoic acid
CID 83194092
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575442
1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446922
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide
CID 78995107
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cycloheptane-1-carboxylic acid
CID 79429413
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol (CID 66418515) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol is OCC1(NCC2Cc3ccccc32)CCCC1.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol?
The InChIKey is IDSOTUCUFANLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-11-15(7-3-4-8-15)16-10-13-9-12-5-1-2-6-14(12)13/h1-2,5-6,13,16-17H,3-4,7-11H2.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol has a molecular weight of 231.34 g/mol, XLogP of 2.22, 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)cyclopentyl]methanol is sourced from PubChem (CID 66418515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).