1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol

C12H18N2O — CID 63296814

IUPAC1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol
SMILESOC(CNCCc1ccncc1)C1CC1
InChIInChI=1S/C12H18N2O/c15-12(11-1-2-11)9-14-8-5-10-3-6-13-7-4-10/h3-4,6-7,11-12,14-15H,1-2,5,8-9H2
InChIKeyDZVZXPIOUZBJPZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.98
Rot. Bonds6

About 1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol

1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol (PubChem CID 63296814) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol
PubChem CID63296814
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol
SMILESOC(CNCCc1ccncc1)C1CC1
InChIInChI=1S/C12H18N2O/c15-12(11-1-2-11)9-14-8-5-10-3-6-13-7-4-10/h3-4,6-7,11-12,14-15H,1-2,5,8-9H2
InChIKeyDZVZXPIOUZBJPZ-UHFFFAOYSA-N
XLogP0.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.98
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-cyclopropyl-2-pyridin-4-ylethanol
CID 63352817
N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
CID 54880947
4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 115122785
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol
CID 60908753
1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 54937792
1-cyclopropyl-2-(2-pyrazol-1-ylethylamino)ethanol
CID 63299027
N-(2-pyridin-4-ylethyl)thiohydroxylamine
CID 146641300
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806
1-cyclohexyl-2-pyridin-4-ylethanol
CID 62552593
2-methyl-N-(2-pyridin-4-ylethyl)pentan-1-amine
CID 60902535

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol (CID 63296814) is 1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol is OC(CNCCc1ccncc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol?
The InChIKey is DZVZXPIOUZBJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12(11-1-2-11)9-14-8-5-10-3-6-13-7-4-10/h3-4,6-7,11-12,14-15H,1-2,5,8-9H2.
What are the key properties of 1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol?
1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol has a molecular weight of 206.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-pyridin-4-ylethylamino)ethanol is sourced from PubChem (CID 63296814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).