2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine

C13H29N3 — CID 96602279

IUPAC2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine
SMILESCC(C)N1CCC[C@H](CN)[C@H]1CCN(C)C
InChIInChI=1S/C13H29N3/c1-11(2)16-8-5-6-12(10-14)13(16)7-9-15(3)4/h11-13H,5-10,14H2,1-4H3/t12-,13-/m1/s1
InChIKeyWNQAEFHMEWRUOF-CHWSQXEVSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds5

About 2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine

2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine (PubChem CID 96602279) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine
PubChem CID96602279
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine
SMILESCC(C)N1CCC[C@H](CN)[C@H]1CCN(C)C
InChIInChI=1S/C13H29N3/c1-11(2)16-8-5-6-12(10-14)13(16)7-9-15(3)4/h11-13H,5-10,14H2,1-4H3/t12-,13-/m1/s1
InChIKeyWNQAEFHMEWRUOF-CHWSQXEVSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine (CID 96602279) is 2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine is CC(C)N1CCC[C@H](CN)[C@H]1CCN(C)C.
What is the InChIKey of 2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine?
The InChIKey is WNQAEFHMEWRUOF-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)16-8-5-6-12(10-14)13(16)7-9-15(3)4/h11-13H,5-10,14H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine?
2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-(aminomethyl)-1-propan-2-ylpiperidin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 96602279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).