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

C17H36N2O — CID 126671625

IUPACN-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCN1CCC(OCCNC(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-16(2,3)9-13-19-11-7-15(8-12-19)20-14-10-18-17(4,5)6/h15,18H,7-14H2,1-6H3
InChIKeyNGRSULQMUWAFFW-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds6

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

N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine (PubChem CID 126671625) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine
PubChem CID126671625
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCN1CCC(OCCNC(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-16(2,3)9-13-19-11-7-15(8-12-19)20-14-10-18-17(4,5)6/h15,18H,7-14H2,1-6H3
InChIKeyNGRSULQMUWAFFW-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
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]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine (CID 126671625) is N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine is CC(C)(C)CCN1CCC(OCCNC(C)(C)C)CC1.
What is the InChIKey of N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine?
The InChIKey is NGRSULQMUWAFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-16(2,3)9-13-19-11-7-15(8-12-19)20-14-10-18-17(4,5)6/h15,18H,7-14H2,1-6H3.
What are the key properties of N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine?
N-[2-[1-(3,3-dimethylbutyl)piperidin-4-yl]oxyethyl]-2-methylpropan-2-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 6 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]-2-methylpropan-2-amine is sourced from PubChem (CID 126671625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).