2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine

C17H37N3O — CID 138727999

IUPAC2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCCOCCN1CCCCC1CNC(C)(C)C
InChIInChI=1S/C17H37N3O/c1-15(2)18-9-12-21-13-11-20-10-7-6-8-16(20)14-19-17(3,4)5/h15-16,18-19H,6-14H2,1-5H3
InChIKeyGWLCJVCLLFRVBJ-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.24
Rot. Bonds9

About 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine (PubChem CID 138727999) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine
PubChem CID138727999
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCCOCCN1CCCCC1CNC(C)(C)C
InChIInChI=1S/C17H37N3O/c1-15(2)18-9-12-21-13-11-20-10-7-6-8-16(20)14-19-17(3,4)5/h15-16,18-19H,6-14H2,1-5H3
InChIKeyGWLCJVCLLFRVBJ-UHFFFAOYSA-N
XLogP2.24
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine (CID 138727999) is 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine is CC(C)NCCOCCN1CCCCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is GWLCJVCLLFRVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-15(2)18-9-12-21-13-11-20-10-7-6-8-16(20)14-19-17(3,4)5/h15-16,18-19H,6-14H2,1-5H3.
What are the key properties of 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 299.50 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 138727999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).