[2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine

C12H20N2O — CID 115066565

IUPAC[2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
SMILESCC(C)Cc1nc2c(o1)CC(CN)CC2
InChIInChI=1S/C12H20N2O/c1-8(2)5-12-14-10-4-3-9(7-13)6-11(10)15-12/h8-9H,3-7,13H2,1-2H3
InChIKeyFQSLNDXQSPYHCB-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.94
Rot. Bonds3

About [2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine

[2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine (PubChem CID 115066565) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
PubChem CID115066565
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
SMILESCC(C)Cc1nc2c(o1)CC(CN)CC2
InChIInChI=1S/C12H20N2O/c1-8(2)5-12-14-10-4-3-9(7-13)6-11(10)15-12/h8-9H,3-7,13H2,1-2H3
InChIKeyFQSLNDXQSPYHCB-UHFFFAOYSA-N
XLogP1.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
The IUPAC name of [2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine (CID 115066565) is [2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine.
What is the SMILES notation for [2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
The canonical SMILES for [2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine is CC(C)Cc1nc2c(o1)CC(CN)CC2.
What is the InChIKey of [2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
The InChIKey is FQSLNDXQSPYHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)5-12-14-10-4-3-9(7-13)6-11(10)15-12/h8-9H,3-7,13H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine?
[2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine has a molecular weight of 208.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine is sourced from PubChem (CID 115066565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).