N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine

C16H34N2O — CID 55220646

IUPACN-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCCN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H34N2O/c1-5-6-11-19-12-10-18-9-7-8-15(14-18)13-17-16(2,3)4/h15,17H,5-14H2,1-4H3
InChIKeyJKGMYBXHOSVJCQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

About N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55220646) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID55220646
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCCN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H34N2O/c1-5-6-11-19-12-10-18-9-7-8-15(14-18)13-17-16(2,3)4/h15,17H,5-14H2,1-4H3
InChIKeyJKGMYBXHOSVJCQ-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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'}

Analyze N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600
2-methyl-N-[[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 176596314
1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264399
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
N-[[1-[3-(dimethylamino)propyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 114525593
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
CID 63388194
2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225
N-[[1-(cyclopropylmethoxymethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 106931141
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103180319
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]methyl]ethanamine
CID 112589860
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 106725815

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine (CID 55220646) is N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine is CCCCOCCN1CCCC(CNC(C)(C)C)C1.
What is the InChIKey of N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JKGMYBXHOSVJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-6-11-19-12-10-18-9-7-8-15(14-18)13-17-16(2,3)4/h15,17H,5-14H2,1-4H3.
What are the key properties of N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55220646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).