1-piperidin-1-ylhexan-1-imine

C11H22N2 — CID 90994554

IUPAC1-piperidin-1-ylhexan-1-imine
SMILES[H]/N=C(\CCCCC)N1CCCCC1
InChIInChI=1S/C11H22N2/c1-2-3-5-8-11(12)13-9-6-4-7-10-13/h12H,2-10H2,1H3/b12-11+
InChIKeyCYSXYIZQRONNLZ-VAWYXSNFSA-N
MW182.31 g/mol
LogP3.03
Rot. Bonds4

About 1-piperidin-1-ylhexan-1-imine

1-piperidin-1-ylhexan-1-imine (PubChem CID 90994554) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-piperidin-1-ylhexan-1-imine.

Molecular Properties

Compound Name1-piperidin-1-ylhexan-1-imine
PubChem CID90994554
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-piperidin-1-ylhexan-1-imine
SMILES[H]/N=C(\CCCCC)N1CCCCC1
InChIInChI=1S/C11H22N2/c1-2-3-5-8-11(12)13-9-6-4-7-10-13/h12H,2-10H2,1H3/b12-11+
InChIKeyCYSXYIZQRONNLZ-VAWYXSNFSA-N
XLogP3.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylhexan-1-imine?
The IUPAC name of 1-piperidin-1-ylhexan-1-imine (CID 90994554) is 1-piperidin-1-ylhexan-1-imine.
What is the SMILES notation for 1-piperidin-1-ylhexan-1-imine?
The canonical SMILES for 1-piperidin-1-ylhexan-1-imine is [H]/N=C(\CCCCC)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylhexan-1-imine?
The InChIKey is CYSXYIZQRONNLZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-3-5-8-11(12)13-9-6-4-7-10-13/h12H,2-10H2,1H3/b12-11+.
What are the key properties of 1-piperidin-1-ylhexan-1-imine?
1-piperidin-1-ylhexan-1-imine has a molecular weight of 182.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylhexan-1-imine is sourced from PubChem (CID 90994554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).