1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol

C15H29NO2 — CID 79067154

IUPAC1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol
SMILESCN(C)C1(C(O)CCCC2CCCO2)CCCC1
InChIInChI=1S/C15H29NO2/c1-16(2)15(10-3-4-11-15)14(17)9-5-7-13-8-6-12-18-13/h13-14,17H,3-12H2,1-2H3
InChIKeyLMVHUSXHTNDBRO-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.57
Rot. Bonds6

About 1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol

1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol (PubChem CID 79067154) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol
PubChem CID79067154
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol
SMILESCN(C)C1(C(O)CCCC2CCCO2)CCCC1
InChIInChI=1S/C15H29NO2/c1-16(2)15(10-3-4-11-15)14(17)9-5-7-13-8-6-12-18-13/h13-14,17H,3-12H2,1-2H3
InChIKeyLMVHUSXHTNDBRO-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine
CID 79061604
N,N-dimethyl-1-[1-(methylamino)-3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 79081781
4-(oxolan-2-yl)-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol
CID 79057218
1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 79066074
1-(1-morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-ol
CID 79057526
4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol
CID 65167277
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol
CID 116755036
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol (CID 79067154) is 1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol is CN(C)C1(C(O)CCCC2CCCO2)CCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is LMVHUSXHTNDBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-16(2)15(10-3-4-11-15)14(17)9-5-7-13-8-6-12-18-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol?
1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 79067154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).