N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine

C12H24N2 — CID 783791

IUPACN-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN(CC)C1CCN(C)CC1
InChIInChI=1S/C12H24N2/c1-5-14(10-11(2)3)12-6-8-13(4)9-7-12/h12H,2,5-10H2,1,3-4H3
InChIKeyINBIKHWZWSXTRI-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.98
Rot. Bonds4

About N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine

N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine (PubChem CID 783791) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine
PubChem CID783791
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine
SMILESC=C(C)CN(CC)C1CCN(C)CC1
InChIInChI=1S/C12H24N2/c1-5-14(10-11(2)3)12-6-8-13(4)9-7-12/h12H,2,5-10H2,1,3-4H3
InChIKeyINBIKHWZWSXTRI-UHFFFAOYSA-N
XLogP1.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine?
The IUPAC name of N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine (CID 783791) is N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine is C=C(C)CN(CC)C1CCN(C)CC1.
What is the InChIKey of N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine?
The InChIKey is INBIKHWZWSXTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-14(10-11(2)3)12-6-8-13(4)9-7-12/h12H,2,5-10H2,1,3-4H3.
What are the key properties of N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine?
N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine has a molecular weight of 196.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-(2-methylprop-2-enyl)piperidin-4-amine is sourced from PubChem (CID 783791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).