N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine

C15H30N2O — CID 103914528

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESC=C(C)COCCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)11-17-8-5-15(6-9-17)16-7-10-18-12-14(3)4/h13,15-16H,3,5-12H2,1-2,4H3
InChIKeyYECQBCLBIBUADI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.29
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103914528) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103914528
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESC=C(C)COCCNC1CCN(CC(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)11-17-8-5-15(6-9-17)16-7-10-18-12-14(3)4/h13,15-16H,3,5-12H2,1-2,4H3
InChIKeyYECQBCLBIBUADI-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
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
N-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethyl]piperidin-4-amine
CID 142615948
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
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397
N-(1-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 64409782
N-(1-ethoxypropan-2-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 75382625
N-[2-(2-methylpropoxy)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 75427757
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]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine (CID 103914528) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine is C=C(C)COCCNC1CCN(CC(C)C)CC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is YECQBCLBIBUADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)11-17-8-5-15(6-9-17)16-7-10-18-12-14(3)4/h13,15-16H,3,5-12H2,1-2,4H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103914528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).