N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine

C15H19NO — CID 122463389

IUPACN-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine
SMILESc1ccc2c(c1)CCCC21CC1NC1COC1
InChIInChI=1S/C15H19NO/c1-2-6-13-11(4-1)5-3-7-15(13)8-14(15)16-12-9-17-10-12/h1-2,4,6,12,14,16H,3,5,7-10H2
InChIKeyJQMPMBJPAAKXGD-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.02
Rot. Bonds2

About N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine

N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine (PubChem CID 122463389) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine.

Molecular Properties

Compound NameN-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine
PubChem CID122463389
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine
SMILESc1ccc2c(c1)CCCC21CC1NC1COC1
InChIInChI=1S/C15H19NO/c1-2-6-13-11(4-1)5-3-7-15(13)8-14(15)16-12-9-17-10-12/h1-2,4,6,12,14,16H,3,5,7-10H2
InChIKeyJQMPMBJPAAKXGD-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine?
The IUPAC name of N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine (CID 122463389) is N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine.
What is the SMILES notation for N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine?
The canonical SMILES for N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine is c1ccc2c(c1)CCCC21CC1NC1COC1.
What is the InChIKey of N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine?
The InChIKey is JQMPMBJPAAKXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-6-13-11(4-1)5-3-7-15(13)8-14(15)16-12-9-17-10-12/h1-2,4,6,12,14,16H,3,5,7-10H2.
What are the key properties of N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine?
N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine has a molecular weight of 229.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yloxetan-3-amine is sourced from PubChem (CID 122463389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).