CID 59977364

C11H19N — CID 59977364

IUPAC—
SMILES[CH]/C=C/CCCCCCCN=C
InChIInChI=1S/C11H19N/c1-3-4-5-6-7-8-9-10-11-12-2/h1,3-4H,2,5-11H2/b4-3+
InChIKeyNIESEPYTDSWQHM-ONEGZZNKSA-N
MW165.28 g/mol
LogP3.29
Rot. Bonds8

About CID 59977364

CID 59977364 (PubChem CID 59977364) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol.

Molecular Properties

Compound NameCID 59977364
PubChem CID59977364
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name—
SMILES[CH]/C=C/CCCCCCCN=C
InChIInChI=1S/C11H19N/c1-3-4-5-6-7-8-9-10-11-12-2/h1,3-4H,2,5-11H2/b4-3+
InChIKeyNIESEPYTDSWQHM-ONEGZZNKSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59977364?
The IUPAC name of CID 59977364 (CID 59977364) is not available.
What is the SMILES notation for CID 59977364?
The canonical SMILES for CID 59977364 is [CH]/C=C/CCCCCCCN=C.
What is the InChIKey of CID 59977364?
The InChIKey is NIESEPYTDSWQHM-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-5-6-7-8-9-10-11-12-2/h1,3-4H,2,5-11H2/b4-3+.
What are the key properties of CID 59977364?
CID 59977364 has a molecular weight of 165.28 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59977364 is sourced from PubChem (CID 59977364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).