N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine

C16H34N2O3 — CID 104565100

IUPACN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
SMILESCCCCOCCOCCOCCN(C)C1CCNCC1
InChIInChI=1S/C16H34N2O3/c1-3-4-10-19-12-14-21-15-13-20-11-9-18(2)16-5-7-17-8-6-16/h16-17H,3-15H2,1-2H3
InChIKeyPFBCEXQTLCBCKZ-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.52
Rot. Bonds13

About N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine (PubChem CID 104565100) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
PubChem CID104565100
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
SMILESCCCCOCCOCCOCCN(C)C1CCNCC1
InChIInChI=1S/C16H34N2O3/c1-3-4-10-19-12-14-21-15-13-20-11-9-18(2)16-5-7-17-8-6-16/h16-17H,3-15H2,1-2H3
InChIKeyPFBCEXQTLCBCKZ-UHFFFAOYSA-N
XLogP1.52
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpyrrolidin-3-amine
CID 104565137
N-butyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53410849
butane;ethane;N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 144963014
2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol
CID 107173264
N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
CID 43607235
3-[methyl(piperidin-4-yl)amino]propan-1-ol
CID 12019499
N-(2-butoxyethyl)-N-ethylazetidin-3-amine
CID 66182391
N-methyl-N-[2-[2-(propylamino)ethoxy]ethyl]cyclopropanamine
CID 102740758
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine
CID 176920815

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine (CID 104565100) is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine is CCCCOCCOCCOCCN(C)C1CCNCC1.
What is the InChIKey of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine?
The InChIKey is PFBCEXQTLCBCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-3-4-10-19-12-14-21-15-13-20-11-9-18(2)16-5-7-17-8-6-16/h16-17H,3-15H2,1-2H3.
What are the key properties of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine?
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine has a molecular weight of 302.46 g/mol, XLogP of 1.52, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 104565100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).