1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine

C16H28N2O — CID 115844000

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
SMILESCCCCCCC(N)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C16H28N2O/c1-5-6-7-8-9-14(17)10-15-13(3)16(19-4)12(2)11-18-15/h11,14H,5-10,17H2,1-4H3
InChIKeyOWFBDGVQHBYRIL-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.55
Rot. Bonds8

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine (PubChem CID 115844000) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
PubChem CID115844000
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
SMILESCCCCCCC(N)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C16H28N2O/c1-5-6-7-8-9-14(17)10-15-13(3)16(19-4)12(2)11-18-15/h11,14H,5-10,17H2,1-4H3
InChIKeyOWFBDGVQHBYRIL-UHFFFAOYSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.55
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-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine
CID 115843906
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115843933
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927982
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
CID 116660339
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79412204
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 62505902
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine
CID 62604362
3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058596
N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine
CID 116719078

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine (CID 115844000) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine is CCCCCCC(N)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine?
The InChIKey is OWFBDGVQHBYRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-6-7-8-9-14(17)10-15-13(3)16(19-4)12(2)11-18-15/h11,14H,5-10,17H2,1-4H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine is sourced from PubChem (CID 115844000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).