CID 143614748

C15H22N — CID 143614748

IUPAC—
SMILESC=C(/N=C(/C1=C[CH]1)C(C)C)C1CCCCC1
InChIInChI=1S/C15H22N/c1-11(2)15(14-9-10-14)16-12(3)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3/b16-15+
InChIKeyTWLKSTWIMIWMKB-FOCLMDBBSA-N
MW216.35 g/mol
LogP4.32
Rot. Bonds4

About CID 143614748

CID 143614748 (PubChem CID 143614748) has the molecular formula C15H22N and a molecular weight of 216.35 g/mol.

Molecular Properties

Compound NameCID 143614748
PubChem CID143614748
Molecular FormulaC15H22N
Molecular Weight216.35 g/mol
Exact Mass216.18
IUPAC Name—
SMILESC=C(/N=C(/C1=C[CH]1)C(C)C)C1CCCCC1
InChIInChI=1S/C15H22N/c1-11(2)15(14-9-10-14)16-12(3)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3/b16-15+
InChIKeyTWLKSTWIMIWMKB-FOCLMDBBSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 143614748?
The IUPAC name of CID 143614748 (CID 143614748) is not available.
What is the SMILES notation for CID 143614748?
The canonical SMILES for CID 143614748 is C=C(/N=C(/C1=C[CH]1)C(C)C)C1CCCCC1.
What is the InChIKey of CID 143614748?
The InChIKey is TWLKSTWIMIWMKB-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H22N/c1-11(2)15(14-9-10-14)16-12(3)13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3/b16-15+.
What are the key properties of CID 143614748?
CID 143614748 has a molecular weight of 216.35 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143614748 is sourced from PubChem (CID 143614748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).