1-(2-butoxyethyl)-5-methylpiperidin-3-amine

C12H26N2O — CID 79992804

IUPAC1-(2-butoxyethyl)-5-methylpiperidin-3-amine
SMILESCCCCOCCN1CC(C)CC(N)C1
InChIInChI=1S/C12H26N2O/c1-3-4-6-15-7-5-14-9-11(2)8-12(13)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyMDQFIUGADAMBBT-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

About 1-(2-butoxyethyl)-5-methylpiperidin-3-amine

1-(2-butoxyethyl)-5-methylpiperidin-3-amine (PubChem CID 79992804) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-5-methylpiperidin-3-amine
PubChem CID79992804
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(2-butoxyethyl)-5-methylpiperidin-3-amine
SMILESCCCCOCCN1CC(C)CC(N)C1
InChIInChI=1S/C12H26N2O/c1-3-4-6-15-7-5-14-9-11(2)8-12(13)10-14/h11-12H,3-10,13H2,1-2H3
InChIKeyMDQFIUGADAMBBT-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

1-(2-butoxyethyl)azetidin-3-amine
CID 63760521
1-(3-methoxypropyl)-5-methylpiperidin-3-amine
CID 79993292
5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine
CID 112590949
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
5-methyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-3-amine
CID 79993699
2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine
CID 79478924
2-[1-(2-butoxyethyl)pyrrolidin-3-yl]ethanamine
CID 114802527
1-(3,3-diethoxypropyl)-5-methylpiperidin-3-amine
CID 81090730
1,3,5-tris(2-butoxyethyl)-1,3,5-triazinane
CID 142761173
5-methyl-1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 79992771
3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine
CID 80691458
1-[2-(2-butoxyethoxy)ethyl]-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111693321

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(2-butoxyethyl)-5-methylpiperidin-3-amine (CID 79992804) is 1-(2-butoxyethyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(2-butoxyethyl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(2-butoxyethyl)-5-methylpiperidin-3-amine is CCCCOCCN1CC(C)CC(N)C1.
What is the InChIKey of 1-(2-butoxyethyl)-5-methylpiperidin-3-amine?
The InChIKey is MDQFIUGADAMBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-6-15-7-5-14-9-11(2)8-12(13)10-14/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-(2-butoxyethyl)-5-methylpiperidin-3-amine?
1-(2-butoxyethyl)-5-methylpiperidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 79992804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).