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

C12H25NO — CID 103157038

IUPAC1-(butylamino)-3-cyclopentylpropan-2-ol
SMILESCCCCNCC(O)CC1CCCC1
InChIInChI=1S/C12H25NO/c1-2-3-8-13-10-12(14)9-11-6-4-5-7-11/h11-14H,2-10H2,1H3
InChIKeyVZWXCFBUFRNNFT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds7

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

1-(butylamino)-3-cyclopentylpropan-2-ol (PubChem CID 103157038) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(butylamino)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(butylamino)-3-cyclopentylpropan-2-ol
PubChem CID103157038
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(butylamino)-3-cyclopentylpropan-2-ol
SMILESCCCCNCC(O)CC1CCCC1
InChIInChI=1S/C12H25NO/c1-2-3-8-13-10-12(14)9-11-6-4-5-7-11/h11-14H,2-10H2,1H3
InChIKeyVZWXCFBUFRNNFT-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 20261256
Cyclohexanemethanol, 4-hydroxy-alpha-(methylaminomethyl)-
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rac-(3R,4R)-3-cyclopentylpiperidin-4-ol
CID 96225681
1-Azaspiro[4.4]nonan-3-ol hydrochloride
CID 115015037
1-Amino-3-cyclopentylpropan-2-ol hydrochloride
CID 165942898
N-2-ethyl-hexylethanolamine
CID 62774096
1-Amino-3-cyclopentylpropan-2-ol
CID 65985839
1-Azaspiro[4.4]nonan-3-ol
CID 84731151
5-(3-Ethyl-1-fluoroheptyl)piperidin-3-ol
CID 144175351
5-(1-Fluoro-3-methylheptyl)piperidin-3-ol
CID 144175376

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(butylamino)-3-cyclopentylpropan-2-ol (CID 103157038) is 1-(butylamino)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(butylamino)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(butylamino)-3-cyclopentylpropan-2-ol is CCCCNCC(O)CC1CCCC1.
What is the InChIKey of 1-(butylamino)-3-cyclopentylpropan-2-ol?
The InChIKey is VZWXCFBUFRNNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-8-13-10-12(14)9-11-6-4-5-7-11/h11-14H,2-10H2,1H3.
What are the key properties of 1-(butylamino)-3-cyclopentylpropan-2-ol?
1-(butylamino)-3-cyclopentylpropan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103157038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).