N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine

C16H34N2O — CID 139363324

IUPACN-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine
SMILESCC(C)NCCOC1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-14(2)17-9-13-19-15-6-10-18(11-7-15)12-8-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyLSICNNLYKQDGPH-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds7

About N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine

N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine (PubChem CID 139363324) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine
PubChem CID139363324
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine
SMILESCC(C)NCCOC1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-14(2)17-9-13-19-15-6-10-18(11-7-15)12-8-16(3,4)5/h14-15,17H,6-13H2,1-5H3
InChIKeyLSICNNLYKQDGPH-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine?
The IUPAC name of N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine (CID 139363324) is N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine is CC(C)NCCOC1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine?
The InChIKey is LSICNNLYKQDGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)17-9-13-19-15-6-10-18(11-7-15)12-8-16(3,4)5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine?
N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]propan-2-amine is sourced from PubChem (CID 139363324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).