6-hydroxyhexan-2-ylideneazanium

C6H14NO+ — CID 59112895

IUPAC6-hydroxyhexan-2-ylideneazanium
SMILESCC(=[NH2+])CCCCO
InChIInChI=1S/C6H13NO/c1-6(7)4-2-3-5-8/h7-8H,2-5H2,1H3/p+1
InChIKeyHIHMKGRMFOEMCV-UHFFFAOYSA-O
MW116.18 g/mol
LogP-0.63
Rot. Bonds4

About 6-hydroxyhexan-2-ylideneazanium

6-hydroxyhexan-2-ylideneazanium (PubChem CID 59112895) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is 6-hydroxyhexan-2-ylideneazanium.

Molecular Properties

Compound Name6-hydroxyhexan-2-ylideneazanium
PubChem CID59112895
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name6-hydroxyhexan-2-ylideneazanium
SMILESCC(=[NH2+])CCCCO
InChIInChI=1S/C6H13NO/c1-6(7)4-2-3-5-8/h7-8H,2-5H2,1H3/p+1
InChIKeyHIHMKGRMFOEMCV-UHFFFAOYSA-O
XLogP-0.63
TPSA45.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
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 6-hydroxyhexan-2-ylideneazanium?
The IUPAC name of 6-hydroxyhexan-2-ylideneazanium (CID 59112895) is 6-hydroxyhexan-2-ylideneazanium.
What is the SMILES notation for 6-hydroxyhexan-2-ylideneazanium?
The canonical SMILES for 6-hydroxyhexan-2-ylideneazanium is CC(=[NH2+])CCCCO.
What is the InChIKey of 6-hydroxyhexan-2-ylideneazanium?
The InChIKey is HIHMKGRMFOEMCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13NO/c1-6(7)4-2-3-5-8/h7-8H,2-5H2,1H3/p+1.
What are the key properties of 6-hydroxyhexan-2-ylideneazanium?
6-hydroxyhexan-2-ylideneazanium has a molecular weight of 116.18 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexan-2-ylideneazanium is sourced from PubChem (CID 59112895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).