N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine

C13H22N2O — CID 115708940

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1cc(CNC(C)C(C)(C)C)ccn1
InChIInChI=1S/C13H22N2O/c1-10(13(2,3)4)15-9-11-6-7-14-12(8-11)16-5/h6-8,10,15H,9H2,1-5H3
InChIKeyNWKZIYBZDJYSAM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.61
Rot. Bonds4

About N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine

N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine (PubChem CID 115708940) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
PubChem CID115708940
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
SMILESCOc1cc(CNC(C)C(C)(C)C)ccn1
InChIInChI=1S/C13H22N2O/c1-10(13(2,3)4)15-9-11-6-7-14-12(8-11)16-5/h6-8,10,15H,9H2,1-5H3
InChIKeyNWKZIYBZDJYSAM-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
CID 115708937
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
2-[(2-methoxy-4-pyridinyl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 62990435
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62990560
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
N-cyclohexyl-2-[(2-methoxy-4-pyridinyl)methylamino]propanamide
CID 62990615
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate
CID 103250198
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 82991376
N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine
CID 79008418

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine (CID 115708940) is N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine is COc1cc(CNC(C)C(C)(C)C)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine?
The InChIKey is NWKZIYBZDJYSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(13(2,3)4)15-9-11-6-7-14-12(8-11)16-5/h6-8,10,15H,9H2,1-5H3.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine?
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115708940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).