CID 171408447

C11H16N — CID 171408447

IUPAC—
SMILESC[C](C)c1ccc(C(C)C)nc1
InChIInChI=1S/C11H16N/c1-8(2)10-5-6-11(9(3)4)12-7-10/h5-7,9H,1-4H3
InChIKeyRUJDMKNWBDYVSJ-UHFFFAOYSA-N
MW162.26 g/mol
LogP3.17
Rot. Bonds2

About CID 171408447

CID 171408447 (PubChem CID 171408447) has the molecular formula C11H16N and a molecular weight of 162.26 g/mol.

Molecular Properties

Compound NameCID 171408447
PubChem CID171408447
Molecular FormulaC11H16N
Molecular Weight162.26 g/mol
Exact Mass162.13
IUPAC Name—
SMILESC[C](C)c1ccc(C(C)C)nc1
InChIInChI=1S/C11H16N/c1-8(2)10-5-6-11(9(3)4)12-7-10/h5-7,9H,1-4H3
InChIKeyRUJDMKNWBDYVSJ-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 171408447?
The IUPAC name of CID 171408447 (CID 171408447) is not available.
What is the SMILES notation for CID 171408447?
The canonical SMILES for CID 171408447 is C[C](C)c1ccc(C(C)C)nc1.
What is the InChIKey of CID 171408447?
The InChIKey is RUJDMKNWBDYVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N/c1-8(2)10-5-6-11(9(3)4)12-7-10/h5-7,9H,1-4H3.
What are the key properties of CID 171408447?
CID 171408447 has a molecular weight of 162.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171408447 is sourced from PubChem (CID 171408447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).