2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine

C13H22N2O — CID 62505902

IUPAC2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
SMILESCCC(CN)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H22N2O/c1-5-11(7-14)6-12-10(3)13(16-4)9(2)8-15-12/h8,11H,5-7,14H2,1-4H3
InChIKeyMQMLQRHMJMSYHH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.23
Rot. Bonds5

About 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine (PubChem CID 62505902) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
PubChem CID62505902
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
SMILESCCC(CN)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H22N2O/c1-5-11(7-14)6-12-10(3)13(16-4)9(2)8-15-12/h8,11H,5-7,14H2,1-4H3
InChIKeyMQMLQRHMJMSYHH-UHFFFAOYSA-N
XLogP2.23
TPSA48.14 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine
CID 62529169
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115844000
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine
CID 55095222
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
CID 116660339
3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058596

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine?
The IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine (CID 62505902) is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine is CCC(CN)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine?
The InChIKey is MQMLQRHMJMSYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-11(7-14)6-12-10(3)13(16-4)9(2)8-15-12/h8,11H,5-7,14H2,1-4H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine?
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine is sourced from PubChem (CID 62505902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).