spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine

C11H14N2O — CID 115098848

IUPACspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine
SMILESNc1cccc2c1OCC1(CC1)CN2
InChIInChI=1S/C11H14N2O/c12-8-2-1-3-9-10(8)14-7-11(4-5-11)6-13-9/h1-3,13H,4-7,12H2
InChIKeyALBBKDJDZMRYSS-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.85
Rot. Bonds

About spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine

spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine (PubChem CID 115098848) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine.

Molecular Properties

Compound Namespiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine
PubChem CID115098848
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Namespiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine
SMILESNc1cccc2c1OCC1(CC1)CN2
InChIInChI=1S/C11H14N2O/c12-8-2-1-3-9-10(8)14-7-11(4-5-11)6-13-9/h1-3,13H,4-7,12H2
InChIKeyALBBKDJDZMRYSS-UHFFFAOYSA-N
XLogP1.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]
CID 115099036
9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]
CID 115099212
spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine
CID 146551012
6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]
CID 115099084
9-chloro-3,3-dimethyl-4,5-dihydro-2H-1,5-benzoxazepine
CID 82230621
6-methylspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115554372
spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol
CID 115099341
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol
CID 115097893
3-(methylaminomethyl)-3,4-dihydro-2H-1,4-benzoxazin-8-amine
CID 84619164
4,4-difluoro-2,3-dihydrochromen-8-amine
CID 84659928
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]-6-ol
CID 115099509
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]-6-ol
CID 115099268

Frequently Asked Questions

What is the IUPAC name of spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine?
The IUPAC name of spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine (CID 115098848) is spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine.
What is the SMILES notation for spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine?
The canonical SMILES for spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine is Nc1cccc2c1OCC1(CC1)CN2.
What is the InChIKey of spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine?
The InChIKey is ALBBKDJDZMRYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-8-2-1-3-9-10(8)14-7-11(4-5-11)6-13-9/h1-3,13H,4-7,12H2.
What are the key properties of spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine?
spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine has a molecular weight of 190.25 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine is sourced from PubChem (CID 115098848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).