2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol

C12H23NO — CID 62014272

IUPAC2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol
SMILESCC(C)=CCN(CCO)C1CCCC1
InChIInChI=1S/C12H23NO/c1-11(2)7-8-13(9-10-14)12-5-3-4-6-12/h7,12,14H,3-6,8-10H2,1-2H3
InChIKeyAQENAWSEZLCFMM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About 2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol

2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol (PubChem CID 62014272) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol
PubChem CID62014272
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol
SMILESCC(C)=CCN(CCO)C1CCCC1
InChIInChI=1S/C12H23NO/c1-11(2)7-8-13(9-10-14)12-5-3-4-6-12/h7,12,14H,3-6,8-10H2,1-2H3
InChIKeyAQENAWSEZLCFMM-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol
CID 102676564
4-[cyclopentyl(2-hydroxyethyl)amino]-2-ethylbut-2-enoic acid
CID 77101656
N-(2-bromoethyl)-N-(3-methylbut-2-enyl)cyclopropanamine
CID 107901105
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
4-[cyclobutyl(3-hydroxypropyl)amino]-2-methylbut-2-enoic acid
CID 102863829
N-methyl-N-(3-methylbut-2-enyl)cyclobutanamine
CID 126994828
2-[cyclopropyl(prop-2-enyl)amino]ethanol
CID 60774782
2-[3-chloroprop-2-enyl(cyclopropyl)amino]ethanol
CID 76890342
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
3-[cyclohexyl(2-hydroxyethyl)amino]propanal
CID 63039607
2-[cyclohexyl(methyl)amino]ethanol;hydrochloride
CID 69010720
2-[cyclohexyl(2-ethylbutyl)amino]ethanol
CID 82930046

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol?
The IUPAC name of 2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol (CID 62014272) is 2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol?
The canonical SMILES for 2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol is CC(C)=CCN(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol?
The InChIKey is AQENAWSEZLCFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)7-8-13(9-10-14)12-5-3-4-6-12/h7,12,14H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol?
2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3-methylbut-2-enyl)amino]ethanol is sourced from PubChem (CID 62014272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).