CID 58998168

C8H15NO — CID 58998168

IUPAC—
SMILES[CH]C(C)(C)N1CC(OC)C1
InChIInChI=1S/C8H15NO/c1-8(2,3)9-5-7(6-9)10-4/h1,7H,5-6H2,2-4H3
InChIKeyMCMPFNNHDNJBPT-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.81
Rot. Bonds2

About CID 58998168

CID 58998168 (PubChem CID 58998168) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol.

Molecular Properties

Compound NameCID 58998168
PubChem CID58998168
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name—
SMILES[CH]C(C)(C)N1CC(OC)C1
InChIInChI=1S/C8H15NO/c1-8(2,3)9-5-7(6-9)10-4/h1,7H,5-6H2,2-4H3
InChIKeyMCMPFNNHDNJBPT-UHFFFAOYSA-N
XLogP0.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58998168?
The IUPAC name of CID 58998168 (CID 58998168) is not available.
What is the SMILES notation for CID 58998168?
The canonical SMILES for CID 58998168 is [CH]C(C)(C)N1CC(OC)C1.
What is the InChIKey of CID 58998168?
The InChIKey is MCMPFNNHDNJBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,3)9-5-7(6-9)10-4/h1,7H,5-6H2,2-4H3.
What are the key properties of CID 58998168?
CID 58998168 has a molecular weight of 141.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998168 is sourced from PubChem (CID 58998168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).