1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine

C14H20N2O — CID 96598649

IUPAC1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine
SMILESCN1CCOc2cc(C3(N)CCCC3)ccc21
InChIInChI=1S/C14H20N2O/c1-16-8-9-17-13-10-11(4-5-12(13)16)14(15)6-2-3-7-14/h4-5,10H,2-3,6-9,15H2,1H3
InChIKeyURABPVDFKTWCMY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.24
Rot. Bonds1

About 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine

1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine (PubChem CID 96598649) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine
PubChem CID96598649
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine
SMILESCN1CCOc2cc(C3(N)CCCC3)ccc21
InChIInChI=1S/C14H20N2O/c1-16-8-9-17-13-10-11(4-5-12(13)16)14(15)6-2-3-7-14/h4-5,10H,2-3,6-9,15H2,1H3
InChIKeyURABPVDFKTWCMY-UHFFFAOYSA-N
XLogP2.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine?
The IUPAC name of 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine (CID 96598649) is 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine is CN1CCOc2cc(C3(N)CCCC3)ccc21.
What is the InChIKey of 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine?
The InChIKey is URABPVDFKTWCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-8-9-17-13-10-11(4-5-12(13)16)14(15)6-2-3-7-14/h4-5,10H,2-3,6-9,15H2,1H3.
What are the key properties of 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine?
1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine is sourced from PubChem (CID 96598649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).