methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine

C17H38N2O — CID 167687218

IUPACmethane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
SMILESC.CC(C)CN1CCC(OCCCN(C)C(C)C)CC1
InChIInChI=1S/C16H34N2O.CH4/c1-14(2)13-18-10-7-16(8-11-18)19-12-6-9-17(5)15(3)4;/h14-16H,6-13H2,1-5H3;1H4
InChIKeyWJTKEXDNGOEDSL-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.49
Rot. Bonds8

About methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine

methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine (PubChem CID 167687218) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Namemethane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
PubChem CID167687218
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Namemethane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
SMILESC.CC(C)CN1CCC(OCCCN(C)C(C)C)CC1
InChIInChI=1S/C16H34N2O.CH4/c1-14(2)13-18-10-7-16(8-11-18)19-12-6-9-17(5)15(3)4;/h14-16H,6-13H2,1-5H3;1H4
InChIKeyWJTKEXDNGOEDSL-UHFFFAOYSA-N
XLogP3.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine
CID 169214901
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874
N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine
CID 155455465
4-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine
CID 166035331
2-[4-[2-[methyl(propan-2-yl)amino]ethoxy]piperidin-1-yl]acetamide
CID 176579252
5-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]oxypentane-2-thiol
CID 167243371
methane;N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 162017171
1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
CID 163400543
N-methyl-1-[3-[methyl(propan-2-yl)amino]propyl]pyrrolidin-3-amine
CID 106039993
1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
CID 163400134
1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
CID 167191940
3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide
CID 79735235

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine (CID 167687218) is methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine is C.CC(C)CN1CCC(OCCCN(C)C(C)C)CC1.
What is the InChIKey of methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine?
The InChIKey is WJTKEXDNGOEDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O.CH4/c1-14(2)13-18-10-7-16(8-11-18)19-12-6-9-17(5)15(3)4;/h14-16H,6-13H2,1-5H3;1H4.
What are the key properties of methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine?
methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine has a molecular weight of 286.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 167687218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).