3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol

C15H23NO — CID 66395652

IUPAC3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)N(CCCO)CC1Cc2ccccc21
InChIInChI=1S/C15H23NO/c1-12(2)16(8-5-9-17)11-14-10-13-6-3-4-7-15(13)14/h3-4,6-7,12,14,17H,5,8-11H2,1-2H3
InChIKeyWAUGJCLCGRKRHM-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.42
Rot. Bonds6

About 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol

3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol (PubChem CID 66395652) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol
PubChem CID66395652
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)N(CCCO)CC1Cc2ccccc21
InChIInChI=1S/C15H23NO/c1-12(2)16(8-5-9-17)11-14-10-13-6-3-4-7-15(13)14/h3-4,6-7,12,14,17H,5,8-11H2,1-2H3
InChIKeyWAUGJCLCGRKRHM-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol with MolForge

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Related Compounds

3-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]propanethioamide
CID 63771080
2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol
CID 115880053
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pentane-1,4-diol
CID 106677838
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine
CID 23382324
2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(2-methylpropyl)amino]acetic acid
CID 66418561
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol
CID 129363150
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 66419100
methyl 2-[propan-2-yl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]acetate
CID 63770956
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanoic acid
CID 83194092
3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 66417566
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
CID 82960217
N-ethyl-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113339452

Frequently Asked Questions

What is the IUPAC name of 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol (CID 66395652) is 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol is CC(C)N(CCCO)CC1Cc2ccccc21.
What is the InChIKey of 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is WAUGJCLCGRKRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)16(8-5-9-17)11-14-10-13-6-3-4-7-15(13)14/h3-4,6-7,12,14,17H,5,8-11H2,1-2H3.
What are the key properties of 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol?
3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 66395652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).