N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine

C14H30N2O — CID 106636675

IUPACN-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCC(C)CCOCCN(C)CC1CCCNC1
InChIInChI=1S/C14H30N2O/c1-13(2)6-9-17-10-8-16(3)12-14-5-4-7-15-11-14/h13-15H,4-12H2,1-3H3
InChIKeyHBHSOJYBDHMJKN-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.98
Rot. Bonds8

About N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine

N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106636675) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106636675
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCC(C)CCOCCN(C)CC1CCCNC1
InChIInChI=1S/C14H30N2O/c1-13(2)6-9-17-10-8-16(3)12-14-5-4-7-15-11-14/h13-15H,4-12H2,1-3H3
InChIKeyHBHSOJYBDHMJKN-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.98
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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Related Compounds

2-(2-methoxyethoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636684
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 115741590
N,4-dimethyl-N-(pyrrolidin-3-ylmethyl)pentan-1-amine
CID 115209057
N,2-dimethyl-N-(piperidin-3-ylmethyl)pentan-1-amine
CID 106623913
N-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-ylsulfanylethanamine
CID 122555830
N-methyl-2-(oxan-2-yloxy)-N-(piperidin-3-ylmethyl)ethanamine
CID 106636343
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
N-methyl-2-propan-2-yloxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 81055965
1-methoxy-N-methyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 61452791

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine (CID 106636675) is N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine is CC(C)CCOCCN(C)CC1CCCNC1.
What is the InChIKey of N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is HBHSOJYBDHMJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)6-9-17-10-8-16(3)12-14-5-4-7-15-11-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine?
N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 242.41 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106636675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).