N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine

C15H21NO — CID 114095834

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCC1Cc2ccccc21
InChIInChI=1S/C15H21NO/c1-11-15(2,7-8-17-11)16-10-13-9-12-5-3-4-6-14(12)13/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyJWSQQIXHBHNZLR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.48
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine (PubChem CID 114095834) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine
PubChem CID114095834
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCC1Cc2ccccc21
InChIInChI=1S/C15H21NO/c1-11-15(2,7-8-17-11)16-10-13-9-12-5-3-4-6-14(12)13/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyJWSQQIXHBHNZLR-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813123
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 107166183
N-(cyclopent-3-en-1-ylmethyl)-2,3-dimethyloxolan-3-amine
CID 164651458
N-(9H-fluoren-9-yl)-2,3-dimethyloxolan-3-amine
CID 103581332
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentyl]methanol
CID 66418515
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
CID 66418322
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-methyloxan-2-yl)ethanol
CID 80684236
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64752201
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-ethylfuran-2-yl)methyl]methanamine
CID 62346347
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60816926
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine (CID 114095834) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine is CC1OCCC1(C)NCC1Cc2ccccc21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine?
The InChIKey is JWSQQIXHBHNZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-15(2,7-8-17-11)16-10-13-9-12-5-3-4-6-14(12)13/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine has a molecular weight of 231.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 114095834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).