CID 140659178

C9H17N2O — CID 140659178

IUPAC—
SMILES[NH]CCN1CCC2(CC1)COC2
InChIInChI=1S/C9H17N2O/c10-3-6-11-4-1-9(2-5-11)7-12-8-9/h10H,1-8H2
InChIKeyXDMBRDVYRKESOM-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.38
Rot. Bonds2

About CID 140659178

CID 140659178 (PubChem CID 140659178) has the molecular formula C9H17N2O and a molecular weight of 169.25 g/mol.

Molecular Properties

Compound NameCID 140659178
PubChem CID140659178
Molecular FormulaC9H17N2O
Molecular Weight169.25 g/mol
Exact Mass169.13
IUPAC Name—
SMILES[NH]CCN1CCC2(CC1)COC2
InChIInChI=1S/C9H17N2O/c10-3-6-11-4-1-9(2-5-11)7-12-8-9/h10H,1-8H2
InChIKeyXDMBRDVYRKESOM-UHFFFAOYSA-N
XLogP0.38
TPSA36.27 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 140659178?
The IUPAC name of CID 140659178 (CID 140659178) is not available.
What is the SMILES notation for CID 140659178?
The canonical SMILES for CID 140659178 is [NH]CCN1CCC2(CC1)COC2.
What is the InChIKey of CID 140659178?
The InChIKey is XDMBRDVYRKESOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O/c10-3-6-11-4-1-9(2-5-11)7-12-8-9/h10H,1-8H2.
What are the key properties of CID 140659178?
CID 140659178 has a molecular weight of 169.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140659178 is sourced from PubChem (CID 140659178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).