N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine

C15H30N2O — CID 156720000

IUPACN-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine
SMILESC=C(CCCCOCCN1CCC(C)CC1)NC
InChIInChI=1S/C15H30N2O/c1-14-7-9-17(10-8-14)11-13-18-12-5-4-6-15(2)16-3/h14,16H,2,4-13H2,1,3H3
InChIKeyCBUFCWOGLNYHAU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.64
Rot. Bonds9

About N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine

N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine (PubChem CID 156720000) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine
PubChem CID156720000
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine
SMILESC=C(CCCCOCCN1CCC(C)CC1)NC
InChIInChI=1S/C15H30N2O/c1-14-7-9-17(10-8-14)11-13-18-12-5-4-6-15(2)16-3/h14,16H,2,4-13H2,1,3H3
InChIKeyCBUFCWOGLNYHAU-UHFFFAOYSA-N
XLogP2.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine?
The IUPAC name of N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine (CID 156720000) is N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine.
What is the SMILES notation for N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine?
The canonical SMILES for N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine is C=C(CCCCOCCN1CCC(C)CC1)NC.
What is the InChIKey of N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine?
The InChIKey is CBUFCWOGLNYHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14-7-9-17(10-8-14)11-13-18-12-5-4-6-15(2)16-3/h14,16H,2,4-13H2,1,3H3.
What are the key properties of N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine?
N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine has a molecular weight of 254.42 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-(4-methylpiperidin-1-yl)ethoxy]hex-1-en-2-amine is sourced from PubChem (CID 156720000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).