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

C17H31NO2 — CID 60634284

IUPAC1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol
SMILESOC(CNCCC1=CCCCC1)COC1CCCCC1
InChIInChI=1S/C17H31NO2/c19-16(14-20-17-9-5-2-6-10-17)13-18-12-11-15-7-3-1-4-8-15/h7,16-19H,1-6,8-14H2
InChIKeyBGOXAZTVXJCNMX-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.18
Rot. Bonds8

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

1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol (PubChem CID 60634284) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol
PubChem CID60634284
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol
SMILESOC(CNCCC1=CCCCC1)COC1CCCCC1
InChIInChI=1S/C17H31NO2/c19-16(14-20-17-9-5-2-6-10-17)13-18-12-11-15-7-3-1-4-8-15/h7,16-19H,1-6,8-14H2
InChIKeyBGOXAZTVXJCNMX-UHFFFAOYSA-N
XLogP3.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-3-cyclohexyloxypropan-2-ol?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol (CID 60634284) is 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol is OC(CNCCC1=CCCCC1)COC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol?
The InChIKey is BGOXAZTVXJCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c19-16(14-20-17-9-5-2-6-10-17)13-18-12-11-15-7-3-1-4-8-15/h7,16-19H,1-6,8-14H2.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol?
1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol has a molecular weight of 281.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclohexyloxypropan-2-ol is sourced from PubChem (CID 60634284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).