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

C14H29NO2 — CID 103157414

IUPAC1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol
SMILESCCCCOCCNCC(O)CC1CCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-9-17-10-8-15-12-14(16)11-13-6-4-5-7-13/h13-16H,2-12H2,1H3
InChIKeyNGDRZGOBMJBPCR-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds10

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

1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol (PubChem CID 103157414) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol
PubChem CID103157414
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol
SMILESCCCCOCCNCC(O)CC1CCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-9-17-10-8-15-12-14(16)11-13-6-4-5-7-13/h13-16H,2-12H2,1H3
InChIKeyNGDRZGOBMJBPCR-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
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-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-(2-butoxyethoxy)-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63828907
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-cyclopentyl-3-(3-hydroxypropylamino)propan-2-ol
CID 103157277
N-(cyclopentylmethyl)-2-heptoxyethanamine
CID 62598497
1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 103157144
1-cyclopentyl-3-[4-[methyl(propan-2-yl)amino]butylamino]propan-2-ol
CID 103157622
ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
CID 103157624
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
1-(but-3-enylamino)-3-cyclopentylpropan-2-ol
CID 103158305
2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine
CID 63119973
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol (CID 103157414) is 1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol is CCCCOCCNCC(O)CC1CCCC1.
What is the InChIKey of 1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol?
The InChIKey is NGDRZGOBMJBPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-9-17-10-8-15-12-14(16)11-13-6-4-5-7-13/h13-16H,2-12H2,1H3.
What are the key properties of 1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol?
1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethylamino)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103157414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).