1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol

C14H27NO2 — CID 106401337

IUPAC1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol
SMILESC=CCCOCCNCC(O)CC1CCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-9-17-10-8-15-12-14(16)11-13-6-4-5-7-13/h2,13-16H,1,3-12H2
InChIKeyAUTYGXJYHIAWFL-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.11
Rot. Bonds10

About 1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol

1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol (PubChem CID 106401337) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol
PubChem CID106401337
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol
SMILESC=CCCOCCNCC(O)CC1CCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-9-17-10-8-15-12-14(16)11-13-6-4-5-7-13/h2,13-16H,1,3-12H2
InChIKeyAUTYGXJYHIAWFL-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]cyclopentyl]methanol
CID 65895622
1-Cyclopentyl-3-(prop-2-enylamino)propan-2-ol
CID 103156938
1-Cyclopentyl-3-(2-ethoxyethylamino)propan-2-ol
CID 103157312
1-(2-Butoxyethylamino)-3-cyclopentylpropan-2-ol
CID 103157414
1-Cyclopentyl-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol
CID 103157602
1-(Cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol
CID 103157616
1-Cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-cyclopentyl-3-[[(E)-pent-3-enyl]amino]propan-2-ol
CID 103158303
1-(But-3-enylamino)-3-cyclopentylpropan-2-ol
CID 103158305
1-Cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol
CID 103158307
1-Cyclopentyl-3-(2-ethoxypropylamino)propan-2-ol
CID 103158318
1-(But-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
CID 103158328

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol (CID 106401337) is 1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol is C=CCCOCCNCC(O)CC1CCCC1.
What is the InChIKey of 1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol?
The InChIKey is AUTYGXJYHIAWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-9-17-10-8-15-12-14(16)11-13-6-4-5-7-13/h2,13-16H,1,3-12H2.
What are the key properties of 1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol?
1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethylamino)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 106401337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).