2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol

C13H20N2O — CID 114756649

IUPAC2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCCc2ccncc2)CC1
InChIInChI=1S/C13H20N2O/c16-10-6-13(4-5-13)11-15-9-3-12-1-7-14-8-2-12/h1-2,7-8,15-16H,3-6,9-11H2
InChIKeyKOIJCFRKNIYXTP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.38
Rot. Bonds7

About 2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol

2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol (PubChem CID 114756649) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol
PubChem CID114756649
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCCc2ccncc2)CC1
InChIInChI=1S/C13H20N2O/c16-10-6-13(4-5-13)11-15-9-3-12-1-7-14-8-2-12/h1-2,7-8,15-16H,3-6,9-11H2
InChIKeyKOIJCFRKNIYXTP-UHFFFAOYSA-N
XLogP1.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.38
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

2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
1-[(2-pyridin-4-ylethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246621
N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine
CID 105416373
4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
CID 65116152
5-(2-pyridin-4-ylethylamino)pentan-1-ol
CID 62228451
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 114756635
2-[1-[(2-phenylsulfanylethylamino)methyl]cyclopropyl]ethanol
CID 114756288
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
2-[1-[(pyridin-2-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733141

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol (CID 114756649) is 2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol is OCCC1(CNCCc2ccncc2)CC1.
What is the InChIKey of 2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol?
The InChIKey is KOIJCFRKNIYXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-10-6-13(4-5-13)11-15-9-3-12-1-7-14-8-2-12/h1-2,7-8,15-16H,3-6,9-11H2.
What are the key properties of 2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol?
2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114756649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).