[2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine

C16H27N3 — CID 58873347

IUPAC[2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine
SMILESCC(C)(C)c1ccc(CN)c(N2CCCCCC2)n1
InChIInChI=1S/C16H27N3/c1-16(2,3)14-9-8-13(12-17)15(18-14)19-10-6-4-5-7-11-19/h8-9H,4-7,10-12,17H2,1-3H3
InChIKeyHMORORZPFZRSJY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.22
Rot. Bonds2

About [2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine

[2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine (PubChem CID 58873347) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is [2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine
PubChem CID58873347
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name[2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine
SMILESCC(C)(C)c1ccc(CN)c(N2CCCCCC2)n1
InChIInChI=1S/C16H27N3/c1-16(2,3)14-9-8-13(12-17)15(18-14)19-10-6-4-5-7-11-19/h8-9H,4-7,10-12,17H2,1-3H3
InChIKeyHMORORZPFZRSJY-UHFFFAOYSA-N
XLogP3.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine (CID 58873347) is [2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine is CC(C)(C)c1ccc(CN)c(N2CCCCCC2)n1.
What is the InChIKey of [2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine?
The InChIKey is HMORORZPFZRSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(2,3)14-9-8-13(12-17)15(18-14)19-10-6-4-5-7-11-19/h8-9H,4-7,10-12,17H2,1-3H3.
What are the key properties of [2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine?
[2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine is sourced from PubChem (CID 58873347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).