N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine

C16H35N3O — CID 138727625

IUPACN-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCNCCOCCN1CCCCC1CNC(C)(C)C
InChIInChI=1S/C16H35N3O/c1-5-17-9-12-20-13-11-19-10-7-6-8-15(19)14-18-16(2,3)4/h15,17-18H,5-14H2,1-4H3
InChIKeyOZGUJNZAQDXATB-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.86
Rot. Bonds9

About N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 138727625) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID138727625
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC NameN-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCNCCOCCN1CCCCC1CNC(C)(C)C
InChIInChI=1S/C16H35N3O/c1-5-17-9-12-20-13-11-19-10-7-6-8-15(19)14-18-16(2,3)4/h15,17-18H,5-14H2,1-4H3
InChIKeyOZGUJNZAQDXATB-UHFFFAOYSA-N
XLogP1.86
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.86
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 N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine (CID 138727625) is N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine is CCNCCOCCN1CCCCC1CNC(C)(C)C.
What is the InChIKey of N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is OZGUJNZAQDXATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-5-17-9-12-20-13-11-19-10-7-6-8-15(19)14-18-16(2,3)4/h15,17-18H,5-14H2,1-4H3.
What are the key properties of N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 285.48 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 138727625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).