2-cyclohexyl-3-iminobutan-1-ol

C10H19NO — CID 91223413

IUPAC2-cyclohexyl-3-iminobutan-1-ol
SMILES[H]/N=C(\C)C(CO)C1CCCCC1
InChIInChI=1S/C10H19NO/c1-8(11)10(7-12)9-5-3-2-4-6-9/h9-12H,2-7H2,1H3/b11-8+
InChIKeyXVEOWXSKJBUHLR-DHZHZOJOSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds3

About 2-cyclohexyl-3-iminobutan-1-ol

2-cyclohexyl-3-iminobutan-1-ol (PubChem CID 91223413) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-cyclohexyl-3-iminobutan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-3-iminobutan-1-ol
PubChem CID91223413
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-cyclohexyl-3-iminobutan-1-ol
SMILES[H]/N=C(\C)C(CO)C1CCCCC1
InChIInChI=1S/C10H19NO/c1-8(11)10(7-12)9-5-3-2-4-6-9/h9-12H,2-7H2,1H3/b11-8+
InChIKeyXVEOWXSKJBUHLR-DHZHZOJOSA-N
XLogP2.21
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-cyclohexyl-3-iminobutan-1-ol?
The IUPAC name of 2-cyclohexyl-3-iminobutan-1-ol (CID 91223413) is 2-cyclohexyl-3-iminobutan-1-ol.
What is the SMILES notation for 2-cyclohexyl-3-iminobutan-1-ol?
The canonical SMILES for 2-cyclohexyl-3-iminobutan-1-ol is [H]/N=C(\C)C(CO)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-iminobutan-1-ol?
The InChIKey is XVEOWXSKJBUHLR-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(11)10(7-12)9-5-3-2-4-6-9/h9-12H,2-7H2,1H3/b11-8+.
What are the key properties of 2-cyclohexyl-3-iminobutan-1-ol?
2-cyclohexyl-3-iminobutan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-iminobutan-1-ol is sourced from PubChem (CID 91223413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).