[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine

C9H20N2 — CID 82416011

IUPAC[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine
SMILESCC[C@@H]1[C@@H](CN)CCCN1C
InChIInChI=1S/C9H20N2/c1-3-9-8(7-10)5-4-6-11(9)2/h8-9H,3-7,10H2,1-2H3/t8-,9-/m1/s1
InChIKeyAUQVPBNTDCQNEV-RKDXNWHRSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds2

About [(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine

[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine (PubChem CID 82416011) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is [(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine
PubChem CID82416011
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine
SMILESCC[C@@H]1[C@@H](CN)CCCN1C
InChIInChI=1S/C9H20N2/c1-3-9-8(7-10)5-4-6-11(9)2/h8-9H,3-7,10H2,1-2H3/t8-,9-/m1/s1
InChIKeyAUQVPBNTDCQNEV-RKDXNWHRSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine?
The IUPAC name of [(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine (CID 82416011) is [(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine is CC[C@@H]1[C@@H](CN)CCCN1C.
What is the InChIKey of [(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine?
The InChIKey is AUQVPBNTDCQNEV-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-9-8(7-10)5-4-6-11(9)2/h8-9H,3-7,10H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of [(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine?
[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 82416011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).