N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine

C11H22N2O — CID 114465606

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine
SMILESC=C(C)COCCNC1CCCNC1
InChIInChI=1S/C11H22N2O/c1-10(2)9-14-7-6-13-11-4-3-5-12-8-11/h11-13H,1,3-9H2,2H3
InChIKeyPGCZIHZTPIMIAC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.92
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine

N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine (PubChem CID 114465606) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine
PubChem CID114465606
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine
SMILESC=C(C)COCCNC1CCCNC1
InChIInChI=1S/C11H22N2O/c1-10(2)9-14-7-6-13-11-4-3-5-12-8-11/h11-13H,1,3-9H2,2H3
InChIKeyPGCZIHZTPIMIAC-UHFFFAOYSA-N
XLogP0.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-fluoroprop-2-enoxy)ethyl]-N-methylpiperidin-3-amine
CID 169661443
5-fluoro-1-[2-(1-fluoroprop-2-enoxy)ethyl]-N-propan-2-ylpiperidin-3-amine
CID 169661446
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115901493
2-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
(2R)-2-(2-methylprop-2-enoxymethyl)piperazine
CID 69214785
2-methyl-N-(1-morpholin-4-ylpropan-2-yl)prop-2-en-1-amine
CID 62331538
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397
2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine
CID 63853216
2-methoxy-N-[[1-(2-methylprop-2-enyl)piperidin-2-yl]methyl]ethanamine
CID 63854606
2-methoxy-N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]ethanamine
CID 66039980
2-(2-Methylidenebutoxymethyl)piperidine
CID 66045265
1,2,5-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
CID 75515405

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine (CID 114465606) is N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine is C=C(C)COCCNC1CCCNC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine?
The InChIKey is PGCZIHZTPIMIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)9-14-7-6-13-11-4-3-5-12-8-11/h11-13H,1,3-9H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 114465606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).