3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol

C14H27NO — CID 115919281

IUPAC3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCC1=CCCCC1
InChIInChI=1S/C14H27NO/c1-3-14(16,4-2)12-15-11-10-13-8-6-5-7-9-13/h8,15-16H,3-7,9-12H2,1-2H3
InChIKeySTKPUOUFXCPVEH-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.02
Rot. Bonds7

About 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol

3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol (PubChem CID 115919281) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol
PubChem CID115919281
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCC1=CCCCC1
InChIInChI=1S/C14H27NO/c1-3-14(16,4-2)12-15-11-10-13-8-6-5-7-9-13/h8,15-16H,3-7,9-12H2,1-2H3
InChIKeySTKPUOUFXCPVEH-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.02
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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Related Compounds

2-[2-(Cyclohexen-1-yl)ethylamino]ethanol
CID 55209957
2-methyl-1-[[(Z)-octadec-9-enyl]amino]propan-2-ol
CID 146623905
1-[(Tert-butylamino)methyl]cyclohex-3-en-1-ol
CID 13610209
1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclohexan-1-ol
CID 55038351
1-{[(Cyclohex-3-en-1-yl)methyl]amino}-2-methylpropan-2-ol
CID 61950742
1-[2-(Cyclohexen-1-yl)ethylamino]propan-2-ol
CID 62325261
1-[2-(Cyclohexen-1-yl)ethylamino]-2-methylpropan-2-ol
CID 62325262
1-[2-(Cyclohexen-1-yl)ethylamino]butan-2-ol
CID 62325451
3-[(Cyclohex-3-en-1-ylmethylamino)methyl]pentan-3-ol
CID 65105296
1-(Cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
CID 65107748
1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65211211
3-[2-(Cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
CID 65333232

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol (CID 115919281) is 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCCC1=CCCCC1.
What is the InChIKey of 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol?
The InChIKey is STKPUOUFXCPVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-14(16,4-2)12-15-11-10-13-8-6-5-7-9-13/h8,15-16H,3-7,9-12H2,1-2H3.
What are the key properties of 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol?
3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol has a molecular weight of 225.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 115919281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).