2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine

C15H32N2O — CID 55069670

IUPAC2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine
SMILESCCCOC1CCCN(C(C)CNC(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-6-10-18-14-8-7-9-17(12-14)13(2)11-16-15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyJTHFSTZQCHPNFW-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.65
Rot. Bonds6

About 2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine

2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine (PubChem CID 55069670) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine
PubChem CID55069670
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine
SMILESCCCOC1CCCN(C(C)CNC(C)(C)C)C1
InChIInChI=1S/C15H32N2O/c1-6-10-18-14-8-7-9-17(12-14)13(2)11-16-15(3,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyJTHFSTZQCHPNFW-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-1-amine
CID 62412248
2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine
CID 79414354
2-(3-ethoxypiperidin-1-yl)-N-(3-ethoxypropyl)propan-1-amine
CID 62568558
2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 102968134
2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
CID 54985244
3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 55069047
2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine
CID 107887847
4,4,4-trifluoro-3-(3-propoxypiperidin-1-yl)butanoic acid
CID 63075262
N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine
CID 102968396
N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 55098092
N'-hydroxy-2-(3-propoxypiperidin-1-yl)butanimidamide
CID 76915742
2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62753468

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine (CID 55069670) is 2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine is CCCOC1CCCN(C(C)CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine?
The InChIKey is JTHFSTZQCHPNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-10-18-14-8-7-9-17(12-14)13(2)11-16-15(3,4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine?
2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine is sourced from PubChem (CID 55069670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).