[3-pentoxy-1-(propylamino)cyclohexyl]methanol

C15H31NO2 — CID 79641151

IUPAC[3-pentoxy-1-(propylamino)cyclohexyl]methanol
SMILESCCCCCOC1CCCC(CO)(NCCC)C1
InChIInChI=1S/C15H31NO2/c1-3-5-6-11-18-14-8-7-9-15(12-14,13-17)16-10-4-2/h14,16-17H,3-13H2,1-2H3
InChIKeyWTZDUSHLYYBBJC-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.87
Rot. Bonds9

About [3-pentoxy-1-(propylamino)cyclohexyl]methanol

[3-pentoxy-1-(propylamino)cyclohexyl]methanol (PubChem CID 79641151) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is [3-pentoxy-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-pentoxy-1-(propylamino)cyclohexyl]methanol
PubChem CID79641151
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name[3-pentoxy-1-(propylamino)cyclohexyl]methanol
SMILESCCCCCOC1CCCC(CO)(NCCC)C1
InChIInChI=1S/C15H31NO2/c1-3-5-6-11-18-14-8-7-9-15(12-14,13-17)16-10-4-2/h14,16-17H,3-13H2,1-2H3
InChIKeyWTZDUSHLYYBBJC-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638608
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646271
3-pentoxy-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79637343
[3-(oxolan-3-ylmethoxy)-1-(propylamino)cyclohexyl]methanol
CID 79640489
[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
CID 79633811
[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
CID 79640737
[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79634231
1-(ethylamino)-3-heptoxycyclohexane-1-carboxylic acid
CID 79638071
2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
CID 106874590
[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646008
[1-(ethylamino)-3-propoxycyclopentyl]methanol
CID 79644520

Frequently Asked Questions

What is the IUPAC name of [3-pentoxy-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-pentoxy-1-(propylamino)cyclohexyl]methanol (CID 79641151) is [3-pentoxy-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-pentoxy-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-pentoxy-1-(propylamino)cyclohexyl]methanol is CCCCCOC1CCCC(CO)(NCCC)C1.
What is the InChIKey of [3-pentoxy-1-(propylamino)cyclohexyl]methanol?
The InChIKey is WTZDUSHLYYBBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-5-6-11-18-14-8-7-9-15(12-14,13-17)16-10-4-2/h14,16-17H,3-13H2,1-2H3.
What are the key properties of [3-pentoxy-1-(propylamino)cyclohexyl]methanol?
[3-pentoxy-1-(propylamino)cyclohexyl]methanol has a molecular weight of 257.42 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-pentoxy-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79641151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).