[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine

C15H25N3 — CID 80635459

IUPAC[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine
SMILESCCC1CCCN(c2ncc(CN)cc2C)CC1
InChIInChI=1S/C15H25N3/c1-3-13-5-4-7-18(8-6-13)15-12(2)9-14(10-16)11-17-15/h9,11,13H,3-8,10,16H2,1-2H3
InChIKeyOZSWWWDZZXGVKL-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.87
Rot. Bonds3

About [6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine

[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine (PubChem CID 80635459) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is [6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine
PubChem CID80635459
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine
SMILESCCC1CCCN(c2ncc(CN)cc2C)CC1
InChIInChI=1S/C15H25N3/c1-3-13-5-4-7-18(8-6-13)15-12(2)9-14(10-16)11-17-15/h9,11,13H,3-8,10,16H2,1-2H3
InChIKeyOZSWWWDZZXGVKL-UHFFFAOYSA-N
XLogP2.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine (CID 80635459) is [6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine is CCC1CCCN(c2ncc(CN)cc2C)CC1.
What is the InChIKey of [6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine?
The InChIKey is OZSWWWDZZXGVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-13-5-4-7-18(8-6-13)15-12(2)9-14(10-16)11-17-15/h9,11,13H,3-8,10,16H2,1-2H3.
What are the key properties of [6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine?
[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 80635459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).