(5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine

C12H26N2 — CID 170139944

IUPAC(5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine
SMILESCC[C@@H]1CC(NC)CN(C(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-6-10-7-11(13-5)9-14(8-10)12(2,3)4/h10-11,13H,6-9H2,1-5H3/t10-,11?/m1/s1
InChIKeyVICOQEASFDNDIV-NFJWQWPMSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds2

About (5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine

(5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine (PubChem CID 170139944) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine
PubChem CID170139944
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine
SMILESCC[C@@H]1CC(NC)CN(C(C)(C)C)C1
InChIInChI=1S/C12H26N2/c1-6-10-7-11(13-5)9-14(8-10)12(2,3)4/h10-11,13H,6-9H2,1-5H3/t10-,11?/m1/s1
InChIKeyVICOQEASFDNDIV-NFJWQWPMSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine?
The IUPAC name of (5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine (CID 170139944) is (5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine.
What is the SMILES notation for (5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine?
The canonical SMILES for (5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine is CC[C@@H]1CC(NC)CN(C(C)(C)C)C1.
What is the InChIKey of (5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine?
The InChIKey is VICOQEASFDNDIV-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-10-7-11(13-5)9-14(8-10)12(2,3)4/h10-11,13H,6-9H2,1-5H3/t10-,11?/m1/s1.
What are the key properties of (5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine?
(5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-tert-butyl-5-ethyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 170139944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).