1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol

C15H27NO — CID 55038351

IUPAC1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCCC2=CCCCC2)CCCCC1
InChIInChI=1S/C15H27NO/c17-15(10-5-2-6-11-15)13-16-12-9-14-7-3-1-4-8-14/h7,16-17H,1-6,8-13H2
InChIKeyMPWBHJLYVRVFPJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds5

About 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol

1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 55038351) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID55038351
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCCC2=CCCCC2)CCCCC1
InChIInChI=1S/C15H27NO/c17-15(10-5-2-6-11-15)13-16-12-9-14-7-3-1-4-8-14/h7,16-17H,1-6,8-13H2
InChIKeyMPWBHJLYVRVFPJ-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol (CID 55038351) is 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol is OC1(CNCCC2=CCCCC2)CCCCC1.
What is the InChIKey of 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is MPWBHJLYVRVFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-15(10-5-2-6-11-15)13-16-12-9-14-7-3-1-4-8-14/h7,16-17H,1-6,8-13H2.
What are the key properties of 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol?
1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 55038351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).