(2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine

C16H28N2 — CID 90210508

IUPAC(2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine
SMILESCCc1cc(CCC[C@H](C)N)nc(C(C)(C)C)c1
InChIInChI=1S/C16H28N2/c1-6-13-10-14(9-7-8-12(2)17)18-15(11-13)16(3,4)5/h10-12H,6-9,17H2,1-5H3/t12-/m0/s1
InChIKeyLWUBZVRJEWCDHK-LBPRGKRZSA-N
MW248.41 g/mol
LogP3.61
Rot. Bonds5

About (2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine

(2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine (PubChem CID 90210508) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine
PubChem CID90210508
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine
SMILESCCc1cc(CCC[C@H](C)N)nc(C(C)(C)C)c1
InChIInChI=1S/C16H28N2/c1-6-13-10-14(9-7-8-12(2)17)18-15(11-13)16(3,4)5/h10-12H,6-9,17H2,1-5H3/t12-/m0/s1
InChIKeyLWUBZVRJEWCDHK-LBPRGKRZSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine?
The IUPAC name of (2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine (CID 90210508) is (2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine.
What is the SMILES notation for (2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine?
The canonical SMILES for (2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine is CCc1cc(CCC[C@H](C)N)nc(C(C)(C)C)c1.
What is the InChIKey of (2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine?
The InChIKey is LWUBZVRJEWCDHK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-13-10-14(9-7-8-12(2)17)18-15(11-13)16(3,4)5/h10-12H,6-9,17H2,1-5H3/t12-/m0/s1.
What are the key properties of (2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine?
(2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine has a molecular weight of 248.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(6-tert-butyl-4-ethyl-2-pyridinyl)pentan-2-amine is sourced from PubChem (CID 90210508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).