1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol

C14H29NO2 — CID 114854829

IUPAC1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol
SMILESCCN(CC)C1(C(O)CCCOC)CCCC1
InChIInChI=1S/C14H29NO2/c1-4-15(5-2)14(10-6-7-11-14)13(16)9-8-12-17-3/h13,16H,4-12H2,1-3H3
InChIKeyLTSJMBQYKVVICE-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.43
Rot. Bonds8

About 1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol

1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol (PubChem CID 114854829) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol
PubChem CID114854829
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol
SMILESCCN(CC)C1(C(O)CCCOC)CCCC1
InChIInChI=1S/C14H29NO2/c1-4-15(5-2)14(10-6-7-11-14)13(16)9-8-12-17-3/h13,16H,4-12H2,1-3H3
InChIKeyLTSJMBQYKVVICE-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(diethylamino)cyclopentyl]-4-ethylsulfonylbutan-1-ol
CID 79070255
1-[1-(diethylamino)cyclopentyl]ethanol
CID 79070716
4-methoxy-1-[1-(2-methylpropyl)cyclopentyl]butan-1-ol
CID 115839615
4-methoxy-1-(2-methyloxan-2-yl)butan-1-ol
CID 114854964
[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanol
CID 79069865
1-(1-amino-4-methoxybutyl)-N,N-dimethylcycloheptan-1-amine
CID 114856330
1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol
CID 79058910
1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
CID 79074118
1-[1-(diethylamino)cyclopentyl]-2-(4-methylphenyl)ethanol
CID 79070717
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol
CID 114855143
1-(aminomethyl)-N-ethyl-N-(3-methoxypropyl)cycloheptan-1-amine
CID 62007736
1-[1-(dimethylamino)cyclohexyl]butan-1-ol
CID 79066197

Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol?
The IUPAC name of 1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol (CID 114854829) is 1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol.
What is the SMILES notation for 1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol?
The canonical SMILES for 1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol is CCN(CC)C1(C(O)CCCOC)CCCC1.
What is the InChIKey of 1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol?
The InChIKey is LTSJMBQYKVVICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-15(5-2)14(10-6-7-11-14)13(16)9-8-12-17-3/h13,16H,4-12H2,1-3H3.
What are the key properties of 1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol?
1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)cyclopentyl]-4-methoxybutan-1-ol is sourced from PubChem (CID 114854829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).