CID 58052012

C9H16N — CID 58052012

IUPAC—
SMILESC=C1[CH][C@H](CC(C)C)CN1
InChIInChI=1S/C9H16N/c1-7(2)4-9-5-8(3)10-6-9/h5,7,9-10H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyXYWYSIHYBIROKH-VIFPVBQESA-N
MW138.23 g/mol
LogP1.97
Rot. Bonds2

About CID 58052012

CID 58052012 (PubChem CID 58052012) has the molecular formula C9H16N and a molecular weight of 138.23 g/mol.

Molecular Properties

Compound NameCID 58052012
PubChem CID58052012
Molecular FormulaC9H16N
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name—
SMILESC=C1[CH][C@H](CC(C)C)CN1
InChIInChI=1S/C9H16N/c1-7(2)4-9-5-8(3)10-6-9/h5,7,9-10H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyXYWYSIHYBIROKH-VIFPVBQESA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58052012?
The IUPAC name of CID 58052012 (CID 58052012) is not available.
What is the SMILES notation for CID 58052012?
The canonical SMILES for CID 58052012 is C=C1[CH][C@H](CC(C)C)CN1.
What is the InChIKey of CID 58052012?
The InChIKey is XYWYSIHYBIROKH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N/c1-7(2)4-9-5-8(3)10-6-9/h5,7,9-10H,3-4,6H2,1-2H3/t9-/m0/s1.
What are the key properties of CID 58052012?
CID 58052012 has a molecular weight of 138.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58052012 is sourced from PubChem (CID 58052012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).