1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine

C17H30N2 — CID 105102919

IUPAC1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1ccc(C)nc1C
InChIInChI=1S/C17H30N2/c1-6-8-9-15(7-2)12-17(18-5)16-11-10-13(3)19-14(16)4/h10-11,15,17-18H,6-9,12H2,1-5H3
InChIKeyAZGOGTKMBIXOSL-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.57
Rot. Bonds8

About 1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine

1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine (PubChem CID 105102919) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
PubChem CID105102919
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CC(NC)c1ccc(C)nc1C
InChIInChI=1S/C17H30N2/c1-6-8-9-15(7-2)12-17(18-5)16-11-10-13(3)19-14(16)4/h10-11,15,17-18H,6-9,12H2,1-5H3
InChIKeyAZGOGTKMBIXOSL-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-N-methylpentan-1-amine
CID 105125315
1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine
CID 105124721
1-(2,6-dimethyl-3-pyridinyl)-N-methylbutan-1-amine
CID 105080249
1-(2,6-dimethyl-3-pyridinyl)-N-methylpropan-1-amine
CID 105078634
3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 63416460
1-(5-chloro-2-methylphenyl)-3-ethyl-N-methylheptan-1-amine
CID 115806267
1-(2,6-dimethyl-3-pyridinyl)pentan-1-ol
CID 105085207
1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 63419888
1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105103285
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
1-(2,6-dimethyl-3-pyridinyl)heptylhydrazine
CID 105293944

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine (CID 105102919) is 1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine is CCCCC(CC)CC(NC)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine?
The InChIKey is AZGOGTKMBIXOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-8-9-15(7-2)12-17(18-5)16-11-10-13(3)19-14(16)4/h10-11,15,17-18H,6-9,12H2,1-5H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine?
1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine is sourced from PubChem (CID 105102919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).