N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine

C12H20N2O — CID 162487755

IUPACN-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)OC(C)(C)C
InChIInChI=1S/C12H20N2O/c1-12(2,3)15-14(4)10-8-11-7-5-6-9-13-11/h5-7,9H,8,10H2,1-4H3
InChIKeyKBWAECQDNZVTJH-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.29
Rot. Bonds4

About N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine

N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine (PubChem CID 162487755) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine
PubChem CID162487755
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)OC(C)(C)C
InChIInChI=1S/C12H20N2O/c1-12(2,3)15-14(4)10-8-11-7-5-6-9-13-11/h5-7,9H,8,10H2,1-4H3
InChIKeyKBWAECQDNZVTJH-UHFFFAOYSA-N
XLogP2.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
3-methoxy-3-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 114228723
1-[ethyl(2-pyridin-2-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 74229486
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
2-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 114079872
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 55051379
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261769
N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 59334325

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine?
The IUPAC name of N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine (CID 162487755) is N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)OC(C)(C)C.
What is the InChIKey of N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine?
The InChIKey is KBWAECQDNZVTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,3)15-14(4)10-8-11-7-5-6-9-13-11/h5-7,9H,8,10H2,1-4H3.
What are the key properties of N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine?
N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine has a molecular weight of 208.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 162487755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).