6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine

C14H23NO — CID 71228771

IUPAC6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
SMILESCCCC1=CC2=C(CC1CCC)OCCN2
InChIInChI=1S/C14H23NO/c1-3-5-11-9-13-14(16-8-7-15-13)10-12(11)6-4-2/h9,12,15H,3-8,10H2,1-2H3
InChIKeyBNFMIGRIZJFWOG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.36
Rot. Bonds4

About 6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine

6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine (PubChem CID 71228771) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
PubChem CID71228771
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
SMILESCCCC1=CC2=C(CC1CCC)OCCN2
InChIInChI=1S/C14H23NO/c1-3-5-11-9-13-14(16-8-7-15-13)10-12(11)6-4-2/h9,12,15H,3-8,10H2,1-2H3
InChIKeyBNFMIGRIZJFWOG-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
The IUPAC name of 6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine (CID 71228771) is 6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
The canonical SMILES for 6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine is CCCC1=CC2=C(CC1CCC)OCCN2.
What is the InChIKey of 6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
The InChIKey is BNFMIGRIZJFWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-11-9-13-14(16-8-7-15-13)10-12(11)6-4-2/h9,12,15H,3-8,10H2,1-2H3.
What are the key properties of 6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine?
6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine has a molecular weight of 221.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dipropyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine is sourced from PubChem (CID 71228771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).