(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine

C11H16N2O — CID 83861890

IUPAC(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine
SMILESNCC1CCCc2onc(C3CC3)c21
InChIInChI=1S/C11H16N2O/c12-6-8-2-1-3-9-10(8)11(13-14-9)7-4-5-7/h7-8H,1-6,12H2
InChIKeyZNTVJCPPBLIYDG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.93
Rot. Bonds2

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

(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine (PubChem CID 83861890) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine
PubChem CID83861890
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine
SMILESNCC1CCCc2onc(C3CC3)c21
InChIInChI=1S/C11H16N2O/c12-6-8-2-1-3-9-10(8)11(13-14-9)7-4-5-7/h7-8H,1-6,12H2
InChIKeyZNTVJCPPBLIYDG-UHFFFAOYSA-N
XLogP1.93
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine?
The IUPAC name of (3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine (CID 83861890) is (3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine.
What is the SMILES notation for (3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine?
The canonical SMILES for (3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine is NCC1CCCc2onc(C3CC3)c21.
What is the InChIKey of (3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine?
The InChIKey is ZNTVJCPPBLIYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-6-8-2-1-3-9-10(8)11(13-14-9)7-4-5-7/h7-8H,1-6,12H2.
What are the key properties of (3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine?
(3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine has a molecular weight of 192.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine is sourced from PubChem (CID 83861890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).