2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol

C14H21NO — CID 79411592

IUPAC2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol
SMILESCCCC(CN)C(O)C1Cc2ccccc21
InChIInChI=1S/C14H21NO/c1-2-5-11(9-15)14(16)13-8-10-6-3-4-7-12(10)13/h3-4,6-7,11,13-14,16H,2,5,8-9,15H2,1H3
InChIKeySFQNXLDSDLGGPH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.06
Rot. Bonds5

About 2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol

2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol (PubChem CID 79411592) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol
PubChem CID79411592
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol
SMILESCCCC(CN)C(O)C1Cc2ccccc21
InChIInChI=1S/C14H21NO/c1-2-5-11(9-15)14(16)13-8-10-6-3-4-7-12(10)13/h3-4,6-7,11,13-14,16H,2,5,8-9,15H2,1H3
InChIKeySFQNXLDSDLGGPH-UHFFFAOYSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-1-ol
CID 64987075
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
CID 64986848
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine
CID 64984494
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-cyclohexylpropan-1-ol
CID 114191995
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylprop-2-en-1-ol
CID 115817464
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine
CID 64984207
1-(2,3-dihydro-1H-inden-2-yl)butan-1-ol
CID 65409784
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxy-4-methylpentan-1-ol
CID 103028313
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine
CID 66038287
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methylsulfonylbutan-1-ol
CID 64986957
2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-4-yn-1-amine
CID 104805824

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol (CID 79411592) is 2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol is CCCC(CN)C(O)C1Cc2ccccc21.
What is the InChIKey of 2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol?
The InChIKey is SFQNXLDSDLGGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-5-11(9-15)14(16)13-8-10-6-3-4-7-12(10)13/h3-4,6-7,11,13-14,16H,2,5,8-9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol?
2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentan-1-ol is sourced from PubChem (CID 79411592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).