N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine

C12H20N2O — CID 61485275

IUPACN-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
SMILESCC(C)OCCNCCc1ccncc1
InChIInChI=1S/C12H20N2O/c1-11(2)15-10-9-14-8-5-12-3-6-13-7-4-12/h3-4,6-7,11,14H,5,8-10H2,1-2H3
InChIKeyVWGKYSPAPPHLLB-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.64
Rot. Bonds7

About N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine

N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine (PubChem CID 61485275) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
PubChem CID61485275
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
SMILESCC(C)OCCNCCc1ccncc1
InChIInChI=1S/C12H20N2O/c1-11(2)15-10-9-14-8-5-12-3-6-13-7-4-12/h3-4,6-7,11,14H,5,8-10H2,1-2H3
InChIKeyVWGKYSPAPPHLLB-UHFFFAOYSA-N
XLogP1.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-propan-2-yloxyethoxy)-3-(2-pyridin-4-ylethylamino)propan-2-ol
CID 60908753
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477
N'-methyl-N'-propan-2-yl-N-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 106045836
N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207061
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
2-pyridin-4-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55031740
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60649512
4-(propan-2-yloxymethyl)pyridine
CID 14442204
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine (CID 61485275) is N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine is CC(C)OCCNCCc1ccncc1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine?
The InChIKey is VWGKYSPAPPHLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(2)15-10-9-14-8-5-12-3-6-13-7-4-12/h3-4,6-7,11,14H,5,8-10H2,1-2H3.
What are the key properties of N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine?
N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 61485275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).