CID 135012220

C8H14N — CID 135012220

IUPAC—
SMILESC[C@@H]1CCC(=[N])C1(C)C
InChIInChI=1S/C8H14N/c1-6-4-5-7(9)8(6,2)3/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyQFGQENIUMSFAJN-ZCFIWIBFSA-N
MW124.21 g/mol
LogP1.68
Rot. Bonds

About CID 135012220

CID 135012220 (PubChem CID 135012220) has the molecular formula C8H14N and a molecular weight of 124.21 g/mol.

Molecular Properties

Compound NameCID 135012220
PubChem CID135012220
Molecular FormulaC8H14N
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Name—
SMILESC[C@@H]1CCC(=[N])C1(C)C
InChIInChI=1S/C8H14N/c1-6-4-5-7(9)8(6,2)3/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyQFGQENIUMSFAJN-ZCFIWIBFSA-N
XLogP1.68
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 135012220?
The IUPAC name of CID 135012220 (CID 135012220) is not available.
What is the SMILES notation for CID 135012220?
The canonical SMILES for CID 135012220 is C[C@@H]1CCC(=[N])C1(C)C.
What is the InChIKey of CID 135012220?
The InChIKey is QFGQENIUMSFAJN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N/c1-6-4-5-7(9)8(6,2)3/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of CID 135012220?
CID 135012220 has a molecular weight of 124.21 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135012220 is sourced from PubChem (CID 135012220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).