N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine

C11H22N2O — CID 114465648

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
SMILESC=C(C)COCCNC1CCNCC1
InChIInChI=1S/C11H22N2O/c1-10(2)9-14-8-7-13-11-3-5-12-6-4-11/h11-13H,1,3-9H2,2H3
InChIKeyIAONGZSOXIKTBP-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.92
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine

N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine (PubChem CID 114465648) 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-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
PubChem CID114465648
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
SMILESC=C(C)COCCNC1CCNCC1
InChIInChI=1S/C11H22N2O/c1-10(2)9-14-8-7-13-11-3-5-12-6-4-11/h11-13H,1,3-9H2,2H3
InChIKeyIAONGZSOXIKTBP-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

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
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-1-amine
CID 114465725
1-(2-Prop-2-enoxyethyl)piperidin-4-amine
CID 156882716
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43778419
N-(1-ethoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61821306
3-(2-Methylprop-2-enoxy)piperidine
CID 62329213
2-(3-Methylbut-2-enoxymethyl)piperidine
CID 62339396
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine (CID 114465648) is N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine is C=C(C)COCCNC1CCNCC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The InChIKey is IAONGZSOXIKTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)9-14-8-7-13-11-3-5-12-6-4-11/h11-13H,1,3-9H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-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-4-amine is sourced from PubChem (CID 114465648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).