6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine

C12H26N2O — CID 106455836

IUPAC6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
SMILESCC(C)COCCN1CC(N)CCC1C
InChIInChI=1S/C12H26N2O/c1-10(2)9-15-7-6-14-8-12(13)5-4-11(14)3/h10-12H,4-9,13H2,1-3H3
InChIKeyUPYHYVPMKKJTIV-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds5

About 6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine

6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine (PubChem CID 106455836) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
PubChem CID106455836
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
SMILESCC(C)COCCN1CC(N)CCC1C
InChIInChI=1S/C12H26N2O/c1-10(2)9-15-7-6-14-8-12(13)5-4-11(14)3/h10-12H,4-9,13H2,1-3H3
InChIKeyUPYHYVPMKKJTIV-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
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 6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine?
The IUPAC name of 6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine (CID 106455836) is 6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for 6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine?
The canonical SMILES for 6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine is CC(C)COCCN1CC(N)CCC1C.
What is the InChIKey of 6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine?
The InChIKey is UPYHYVPMKKJTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)9-15-7-6-14-8-12(13)5-4-11(14)3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine?
6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 106455836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).