N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine

C15H21NO — CID 65081954

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine
SMILESc1ccc2c(c1)CC2CNC1CCCOCC1
InChIInChI=1S/C15H21NO/c1-2-6-15-12(4-1)10-13(15)11-16-14-5-3-8-17-9-7-14/h1-2,4,6,13-14,16H,3,5,7-11H2
InChIKeyOMHCUEUEGAHZTH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.48
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine (PubChem CID 65081954) 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)oxepan-4-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine
PubChem CID65081954
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine
SMILESc1ccc2c(c1)CC2CNC1CCCOCC1
InChIInChI=1S/C15H21NO/c1-2-6-15-12(4-1)10-13(15)11-16-14-5-3-8-17-9-7-14/h1-2,4,6,13-14,16H,3,5,7-11H2
InChIKeyOMHCUEUEGAHZTH-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

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 75427921
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-methylazepan-4-amine
CID 65070385
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-cyclopropylcyclohexan-1-amine
CID 64623153
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64752201
N-benzyloxepan-4-amine
CID 65076712
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
CID 66396568
trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
CID 102733675
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,1-dioxothiolan-3-amine
CID 60816010
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60816945

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine (CID 65081954) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine is c1ccc2c(c1)CC2CNC1CCCOCC1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine?
The InChIKey is OMHCUEUEGAHZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-6-15-12(4-1)10-13(15)11-16-14-5-3-8-17-9-7-14/h1-2,4,6,13-14,16H,3,5,7-11H2.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxepan-4-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)oxepan-4-amine is sourced from PubChem (CID 65081954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).