CID 59976838

C9H20N2O — CID 59976838

IUPAC—
SMILESC[CH]N([CH]C)CN(C)C(C)CO
InChIInChI=1S/C9H20N2O/c1-5-11(6-2)8-10(4)9(3)7-12/h5-6,9,12H,7-8H2,1-4H3
InChIKeyFQSIZFPYNMAKDN-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.92
Rot. Bonds6

About CID 59976838

CID 59976838 (PubChem CID 59976838) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol.

Molecular Properties

Compound NameCID 59976838
PubChem CID59976838
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name—
SMILESC[CH]N([CH]C)CN(C)C(C)CO
InChIInChI=1S/C9H20N2O/c1-5-11(6-2)8-10(4)9(3)7-12/h5-6,9,12H,7-8H2,1-4H3
InChIKeyFQSIZFPYNMAKDN-UHFFFAOYSA-N
XLogP0.92
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59976838?
The IUPAC name of CID 59976838 (CID 59976838) is not available.
What is the SMILES notation for CID 59976838?
The canonical SMILES for CID 59976838 is C[CH]N([CH]C)CN(C)C(C)CO.
What is the InChIKey of CID 59976838?
The InChIKey is FQSIZFPYNMAKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-11(6-2)8-10(4)9(3)7-12/h5-6,9,12H,7-8H2,1-4H3.
What are the key properties of CID 59976838?
CID 59976838 has a molecular weight of 172.27 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59976838 is sourced from PubChem (CID 59976838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).