CID 58608457

C8H15N — CID 58608457

IUPAC—
SMILES[CH]N(CCC)CC1CC1
InChIInChI=1S/C8H15N/c1-3-6-9(2)7-8-4-5-8/h2,8H,3-7H2,1H3
InChIKeyKFCAUYNYPDBLCQ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.78
Rot. Bonds4

About CID 58608457

CID 58608457 (PubChem CID 58608457) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol.

Molecular Properties

Compound NameCID 58608457
PubChem CID58608457
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name—
SMILES[CH]N(CCC)CC1CC1
InChIInChI=1S/C8H15N/c1-3-6-9(2)7-8-4-5-8/h2,8H,3-7H2,1H3
InChIKeyKFCAUYNYPDBLCQ-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
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 58608457?
The IUPAC name of CID 58608457 (CID 58608457) is not available.
What is the SMILES notation for CID 58608457?
The canonical SMILES for CID 58608457 is [CH]N(CCC)CC1CC1.
What is the InChIKey of CID 58608457?
The InChIKey is KFCAUYNYPDBLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-6-9(2)7-8-4-5-8/h2,8H,3-7H2,1H3.
What are the key properties of CID 58608457?
CID 58608457 has a molecular weight of 125.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58608457 is sourced from PubChem (CID 58608457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).