[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol

C15H31NO2 — CID 79646271

IUPAC[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(OCCCC(C)C)C1
InChIInChI=1S/C15H31NO2/c1-4-9-16-15(12-17)8-7-14(11-15)18-10-5-6-13(2)3/h13-14,16-17H,4-12H2,1-3H3
InChIKeyPMCHKOPNCVRRCJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.72
Rot. Bonds9

About [3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol

[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol (PubChem CID 79646271) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is [3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol
PubChem CID79646271
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(OCCCC(C)C)C1
InChIInChI=1S/C15H31NO2/c1-4-9-16-15(12-17)8-7-14(11-15)18-10-5-6-13(2)3/h13-14,16-17H,4-12H2,1-3H3
InChIKeyPMCHKOPNCVRRCJ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
[1-(ethylamino)-3-propoxycyclopentyl]methanol
CID 79644520
[3-(2-phenoxyethoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646008
[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol
CID 107764868
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxylic acid
CID 79648891
[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638608
[3-phenoxy-1-(propylamino)cyclopentyl]methanol
CID 79645048
[3-[1-methoxypropan-2-yl(methyl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79655810
[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol
CID 82793798
[3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79656145
[1-(propylamino)-3-(4-propylphenoxy)cyclopentyl]methanol
CID 79645486

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol (CID 79646271) is [3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(OCCCC(C)C)C1.
What is the InChIKey of [3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol?
The InChIKey is PMCHKOPNCVRRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-9-16-15(12-17)8-7-14(11-15)18-10-5-6-13(2)3/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of [3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol?
[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol has a molecular weight of 257.42 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79646271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).