2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine

C11H19N3O — CID 81170404

IUPAC2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
SMILESNCC1CCCCC1NCc1ccon1
InChIInChI=1S/C11H19N3O/c12-7-9-3-1-2-4-11(9)13-8-10-5-6-15-14-10/h5-6,9,11,13H,1-4,7-8,12H2
InChIKeyHTIHLHMBLAMXBV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.28
Rot. Bonds4

About 2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine

2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine (PubChem CID 81170404) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
PubChem CID81170404
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
SMILESNCC1CCCCC1NCc1ccon1
InChIInChI=1S/C11H19N3O/c12-7-9-3-1-2-4-11(9)13-8-10-5-6-15-14-10/h5-6,9,11,13H,1-4,7-8,12H2
InChIKeyHTIHLHMBLAMXBV-UHFFFAOYSA-N
XLogP1.28
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine (CID 81170404) is 2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine is NCC1CCCCC1NCc1ccon1.
What is the InChIKey of 2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is HTIHLHMBLAMXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-7-9-3-1-2-4-11(9)13-8-10-5-6-15-14-10/h5-6,9,11,13H,1-4,7-8,12H2.
What are the key properties of 2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine?
2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 81170404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).