CID 59694833

C9H17NO — CID 59694833

IUPAC—
SMILES[CH]C1CCN(C(C)CCO)C1
InChIInChI=1S/C9H17NO/c1-8-3-5-10(7-8)9(2)4-6-11/h1,8-9,11H,3-7H2,2H3
InChIKeyMNNLHNVCEOLVIH-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.79
Rot. Bonds3

About CID 59694833

CID 59694833 (PubChem CID 59694833) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol.

Molecular Properties

Compound NameCID 59694833
PubChem CID59694833
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name—
SMILES[CH]C1CCN(C(C)CCO)C1
InChIInChI=1S/C9H17NO/c1-8-3-5-10(7-8)9(2)4-6-11/h1,8-9,11H,3-7H2,2H3
InChIKeyMNNLHNVCEOLVIH-UHFFFAOYSA-N
XLogP0.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59694833?
The IUPAC name of CID 59694833 (CID 59694833) is not available.
What is the SMILES notation for CID 59694833?
The canonical SMILES for CID 59694833 is [CH]C1CCN(C(C)CCO)C1.
What is the InChIKey of CID 59694833?
The InChIKey is MNNLHNVCEOLVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-3-5-10(7-8)9(2)4-6-11/h1,8-9,11H,3-7H2,2H3.
What are the key properties of CID 59694833?
CID 59694833 has a molecular weight of 155.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694833 is sourced from PubChem (CID 59694833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).