2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol

C13H23N3O — CID 114531217

IUPAC2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
SMILESCn1ccnc1CCN(CCO)C1CCCC1
InChIInChI=1S/C13H23N3O/c1-15-9-7-14-13(15)6-8-16(10-11-17)12-4-2-3-5-12/h7,9,12,17H,2-6,8,10-11H2,1H3
InChIKeyRTKFNDDYGXKWQS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.20
Rot. Bonds6

About 2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol

2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol (PubChem CID 114531217) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
PubChem CID114531217
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
SMILESCn1ccnc1CCN(CCO)C1CCCC1
InChIInChI=1S/C13H23N3O/c1-15-9-7-14-13(15)6-8-16(10-11-17)12-4-2-3-5-12/h7,9,12,17H,2-6,8,10-11H2,1H3
InChIKeyRTKFNDDYGXKWQS-UHFFFAOYSA-N
XLogP1.20
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207
2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014031
4-[[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]methyl]aniline
CID 114528265
2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 131928849
2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 56857963
N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine
CID 122158285
1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
CID 116508143
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
N-methyl-2-(1-methylimidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106635225
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 77092489
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol (CID 114531217) is 2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol is Cn1ccnc1CCN(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol?
The InChIKey is RTKFNDDYGXKWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15-9-7-14-13(15)6-8-16(10-11-17)12-4-2-3-5-12/h7,9,12,17H,2-6,8,10-11H2,1H3.
What are the key properties of 2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol?
2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol has a molecular weight of 237.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol is sourced from PubChem (CID 114531217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).