1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine

C13H22N2O — CID 66225919

IUPAC1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(OCCC(C)(C)C)c1
InChIInChI=1S/C13H22N2O/c1-13(2,3)6-8-16-12-9-11(10-14-4)5-7-15-12/h5,7,9,14H,6,8,10H2,1-4H3
InChIKeyGRTAYJRLWOYEMH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds5

About 1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine

1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 66225919) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID66225919
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(OCCC(C)(C)C)c1
InChIInChI=1S/C13H22N2O/c1-13(2,3)6-8-16-12-9-11(10-14-4)5-7-15-12/h5,7,9,14H,6,8,10H2,1-4H3
InChIKeyGRTAYJRLWOYEMH-UHFFFAOYSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
1-[2-(3,3-dimethylbutoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379549
N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62288778
1-[2-(3-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62324004
N-[[2-(2-cyclopropylethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106205341
N-methyl-1-[2-(2-methylpentoxy)-4-pyridinyl]methanamine
CID 103285375
N-[[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104566379
N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine
CID 62290414
6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile
CID 133422561
1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 62288969
N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103180821
N-methyl-1-(2-naphthalen-2-yloxy-4-pyridinyl)methanamine
CID 62322369

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine (CID 66225919) is 1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(OCCC(C)(C)C)c1.
What is the InChIKey of 1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is GRTAYJRLWOYEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)6-8-16-12-9-11(10-14-4)5-7-15-12/h5,7,9,14H,6,8,10H2,1-4H3.
What are the key properties of 1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine?
1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 66225919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).