CID 142233588

C13H22NO — CID 142233588

IUPAC—
SMILESCC[C@H](C[C@@H](C)NC)OC1[CH]C=CC=C1
InChIInChI=1S/C13H22NO/c1-4-12(10-11(2)14-3)15-13-8-6-5-7-9-13/h5-9,11-14H,4,10H2,1-3H3/t11-,12-/m1/s1
InChIKeyRYMTUHPHHJHOLY-VXGBXAGGSA-N
MW208.32 g/mol
LogP2.48
Rot. Bonds6

About CID 142233588

CID 142233588 (PubChem CID 142233588) has the molecular formula C13H22NO and a molecular weight of 208.32 g/mol.

Molecular Properties

Compound NameCID 142233588
PubChem CID142233588
Molecular FormulaC13H22NO
Molecular Weight208.32 g/mol
Exact Mass208.17
IUPAC Name—
SMILESCC[C@H](C[C@@H](C)NC)OC1[CH]C=CC=C1
InChIInChI=1S/C13H22NO/c1-4-12(10-11(2)14-3)15-13-8-6-5-7-9-13/h5-9,11-14H,4,10H2,1-3H3/t11-,12-/m1/s1
InChIKeyRYMTUHPHHJHOLY-VXGBXAGGSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 142233588?
The IUPAC name of CID 142233588 (CID 142233588) is not available.
What is the SMILES notation for CID 142233588?
The canonical SMILES for CID 142233588 is CC[C@H](C[C@@H](C)NC)OC1[CH]C=CC=C1.
What is the InChIKey of CID 142233588?
The InChIKey is RYMTUHPHHJHOLY-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H22NO/c1-4-12(10-11(2)14-3)15-13-8-6-5-7-9-13/h5-9,11-14H,4,10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of CID 142233588?
CID 142233588 has a molecular weight of 208.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142233588 is sourced from PubChem (CID 142233588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).