1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol

C15H31NO2 — CID 103158330

IUPAC1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol
SMILESCCCCOCCCNCC(O)CC1CCCC1
InChIInChI=1S/C15H31NO2/c1-2-3-10-18-11-6-9-16-13-15(17)12-14-7-4-5-8-14/h14-17H,2-13H2,1H3
InChIKeyOHWOKPFXHVWKAG-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.72
Rot. Bonds11

About 1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol

1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol (PubChem CID 103158330) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol
PubChem CID103158330
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol
SMILESCCCCOCCCNCC(O)CC1CCCC1
InChIInChI=1S/C15H31NO2/c1-2-3-10-18-11-6-9-16-13-15(17)12-14-7-4-5-8-14/h14-17H,2-13H2,1H3
InChIKeyOHWOKPFXHVWKAG-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
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

1-Cyclohexyl-2-(methylamino)ethan-1-ol
CID 89518
2-(Morpholin-3-yl)cyclopentan-1-ol
CID 119031213
(2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol
CID 99826157
1-Cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 103157182
1-Cyclopentyl-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 103157763
1-Cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 103157807
1-Cyclopentyl-3-(2,2-difluoroethylamino)propan-2-ol
CID 103158170
1-Cyclopentyl-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 103158173
1-Cyclopentyl-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 103158175
3-[(3-Cyclopentyl-2-hydroxypropyl)amino]-1,1-difluoropropan-2-ol
CID 105645405
3-[(3-Cyclopentyl-2-hydroxypropyl)amino]-2,2-difluoropropan-1-ol
CID 106176435
3-[(3-Cyclopentyl-2-hydroxypropyl)amino]-1,1,1-trifluoropropan-2-ol
CID 114093395

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol (CID 103158330) is 1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol is CCCCOCCCNCC(O)CC1CCCC1.
What is the InChIKey of 1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol?
The InChIKey is OHWOKPFXHVWKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-2-3-10-18-11-6-9-16-13-15(17)12-14-7-4-5-8-14/h14-17H,2-13H2,1H3.
What are the key properties of 1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol?
1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.72, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropylamino)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103158330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).