2H-1,2-benzoxazine;cyclohexanamine

C14H20N2O — CID 175182018

IUPAC2H-1,2-benzoxazine;cyclohexanamine
SMILESC1=Cc2ccccc2ON1.NC1CCCCC1
InChIInChI=1S/C8H7NO.C6H13N/c1-2-4-8-7(3-1)5-6-9-10-8;7-6-4-2-1-3-5-6/h1-6,9H;6H,1-5,7H2
InChIKeyCGTBPZHPTGNUJG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.83
Rot. Bonds

About 2H-1,2-benzoxazine;cyclohexanamine

2H-1,2-benzoxazine;cyclohexanamine (PubChem CID 175182018) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2H-1,2-benzoxazine;cyclohexanamine.

Molecular Properties

Compound Name2H-1,2-benzoxazine;cyclohexanamine
PubChem CID175182018
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2H-1,2-benzoxazine;cyclohexanamine
SMILESC1=Cc2ccccc2ON1.NC1CCCCC1
InChIInChI=1S/C8H7NO.C6H13N/c1-2-4-8-7(3-1)5-6-9-10-8;7-6-4-2-1-3-5-6/h1-6,9H;6H,1-5,7H2
InChIKeyCGTBPZHPTGNUJG-UHFFFAOYSA-N
XLogP2.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2H-1,2-benzoxazine;ethane-1,2-diol
CID 175297892
CID 67470092
CID 67470092
2H-1,2-benzoxazine;4,5-dihydro-1,3-oxazole
CID 159437520
2H-1,2-benzoxazine;prop-1-ene-2-sulfonamide
CID 118163764
2H-1,2-benzoxazine;1H-pyrazole
CID 89454286
cyclohexanamine;diphenylmethanediamine
CID 175293358
carbanide;cyclododecanamine;titanium(2+)
CID 174995468
2-oxa-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3,5,7,9,12,14,16-octaene
CID 175794563
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284
cycloheptanamine;phenylmethanamine
CID 162192852
azane;cycloheptanamine
CID 135353953
cyclohexanamine;3-phenylprop-2-enal
CID 163727365

Frequently Asked Questions

What is the IUPAC name of 2H-1,2-benzoxazine;cyclohexanamine?
The IUPAC name of 2H-1,2-benzoxazine;cyclohexanamine (CID 175182018) is 2H-1,2-benzoxazine;cyclohexanamine.
What is the SMILES notation for 2H-1,2-benzoxazine;cyclohexanamine?
The canonical SMILES for 2H-1,2-benzoxazine;cyclohexanamine is C1=Cc2ccccc2ON1.NC1CCCCC1.
What is the InChIKey of 2H-1,2-benzoxazine;cyclohexanamine?
The InChIKey is CGTBPZHPTGNUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C6H13N/c1-2-4-8-7(3-1)5-6-9-10-8;7-6-4-2-1-3-5-6/h1-6,9H;6H,1-5,7H2.
What are the key properties of 2H-1,2-benzoxazine;cyclohexanamine?
2H-1,2-benzoxazine;cyclohexanamine has a molecular weight of 232.33 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazine;cyclohexanamine is sourced from PubChem (CID 175182018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).