3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine

C12H24N2 — CID 114473405

IUPAC3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine
SMILESC=C(C)CCN1CCC(N)C(CC)C1
InChIInChI=1S/C12H24N2/c1-4-11-9-14(7-5-10(2)3)8-6-12(11)13/h11-12H,2,4-9,13H2,1,3H3
InChIKeyQHANSGQBJKRVLM-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.01
Rot. Bonds4

About 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine

3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine (PubChem CID 114473405) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine
PubChem CID114473405
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine
SMILESC=C(C)CCN1CCC(N)C(CC)C1
InChIInChI=1S/C12H24N2/c1-4-11-9-14(7-5-10(2)3)8-6-12(11)13/h11-12H,2,4-9,13H2,1,3H3
InChIKeyQHANSGQBJKRVLM-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
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 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine (CID 114473405) is 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine is C=C(C)CCN1CCC(N)C(CC)C1.
What is the InChIKey of 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine?
The InChIKey is QHANSGQBJKRVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-11-9-14(7-5-10(2)3)8-6-12(11)13/h11-12H,2,4-9,13H2,1,3H3.
What are the key properties of 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine?
3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine has a molecular weight of 196.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine is sourced from PubChem (CID 114473405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).