CID 58608443

C8H15N — CID 58608443

IUPAC—
SMILES[CH]NC1CCC(C)CC1
InChIInChI=1S/C8H15N/c1-7-3-5-8(9-2)6-4-7/h2,7-9H,3-6H2,1H3
InChIKeyCXGKFRJEIULLEC-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.82
Rot. Bonds1

About CID 58608443

CID 58608443 (PubChem CID 58608443) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol.

Molecular Properties

Compound NameCID 58608443
PubChem CID58608443
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name—
SMILES[CH]NC1CCC(C)CC1
InChIInChI=1S/C8H15N/c1-7-3-5-8(9-2)6-4-7/h2,7-9H,3-6H2,1H3
InChIKeyCXGKFRJEIULLEC-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58608443?
The IUPAC name of CID 58608443 (CID 58608443) is not available.
What is the SMILES notation for CID 58608443?
The canonical SMILES for CID 58608443 is [CH]NC1CCC(C)CC1.
What is the InChIKey of CID 58608443?
The InChIKey is CXGKFRJEIULLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-3-5-8(9-2)6-4-7/h2,7-9H,3-6H2,1H3.
What are the key properties of CID 58608443?
CID 58608443 has a molecular weight of 125.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58608443 is sourced from PubChem (CID 58608443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).