5-propan-2-yliminohexan-1-ol

C9H19NO — CID 23268795

IUPAC5-propan-2-yliminohexan-1-ol
SMILESC/C(CCCCO)=N\C(C)C
InChIInChI=1S/C9H19NO/c1-8(2)10-9(3)6-4-5-7-11/h8,11H,4-7H2,1-3H3/b10-9+
InChIKeyFQXPASLOXCNHPK-MDZDMXLPSA-N
MW157.26 g/mol
LogP2.02
Rot. Bonds5

About 5-propan-2-yliminohexan-1-ol

5-propan-2-yliminohexan-1-ol (PubChem CID 23268795) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-propan-2-yliminohexan-1-ol.

Molecular Properties

Compound Name5-propan-2-yliminohexan-1-ol
PubChem CID23268795
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-propan-2-yliminohexan-1-ol
SMILESC/C(CCCCO)=N\C(C)C
InChIInChI=1S/C9H19NO/c1-8(2)10-9(3)6-4-5-7-11/h8,11H,4-7H2,1-3H3/b10-9+
InChIKeyFQXPASLOXCNHPK-MDZDMXLPSA-N
XLogP2.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-propan-2-yliminohexan-1-ol?
The IUPAC name of 5-propan-2-yliminohexan-1-ol (CID 23268795) is 5-propan-2-yliminohexan-1-ol.
What is the SMILES notation for 5-propan-2-yliminohexan-1-ol?
The canonical SMILES for 5-propan-2-yliminohexan-1-ol is C/C(CCCCO)=N\C(C)C.
What is the InChIKey of 5-propan-2-yliminohexan-1-ol?
The InChIKey is FQXPASLOXCNHPK-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)10-9(3)6-4-5-7-11/h8,11H,4-7H2,1-3H3/b10-9+.
What are the key properties of 5-propan-2-yliminohexan-1-ol?
5-propan-2-yliminohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yliminohexan-1-ol is sourced from PubChem (CID 23268795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).