N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane

C16H36N2O — CID 155750820

IUPACN,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane
SMILESCC.CC(C)CN(C)CCOCC1CCN(C)CC1
InChIInChI=1S/C14H30N2O.C2H6/c1-13(2)11-16(4)9-10-17-12-14-5-7-15(3)8-6-14;1-2/h13-14H,5-12H2,1-4H3;1-2H3
InChIKeyFCTULDORUCDNGU-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.96
Rot. Bonds7

About N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane

N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane (PubChem CID 155750820) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane
PubChem CID155750820
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane
SMILESCC.CC(C)CN(C)CCOCC1CCN(C)CC1
InChIInChI=1S/C14H30N2O.C2H6/c1-13(2)11-16(4)9-10-17-12-14-5-7-15(3)8-6-14;1-2/h13-14H,5-12H2,1-4H3;1-2H3
InChIKeyFCTULDORUCDNGU-UHFFFAOYSA-N
XLogP2.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane?
The IUPAC name of N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane (CID 155750820) is N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane.
What is the SMILES notation for N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane?
The canonical SMILES for N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane is CC.CC(C)CN(C)CCOCC1CCN(C)CC1.
What is the InChIKey of N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane?
The InChIKey is FCTULDORUCDNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O.C2H6/c1-13(2)11-16(4)9-10-17-12-14-5-7-15(3)8-6-14;1-2/h13-14H,5-12H2,1-4H3;1-2H3.
What are the key properties of N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane?
N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane has a molecular weight of 272.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine;ethane is sourced from PubChem (CID 155750820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).