1-(3-methylbut-2-enyl)piperidin-4-amine

C10H20N2 — CID 43556892

IUPAC1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(N)CC1
InChIInChI=1S/C10H20N2/c1-9(2)3-6-12-7-4-10(11)5-8-12/h3,10H,4-8,11H2,1-2H3
InChIKeyPAGWRPSCTUYREK-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.38
Rot. Bonds2

About 1-(3-methylbut-2-enyl)piperidin-4-amine

1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43556892) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43556892
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(N)CC1
InChIInChI=1S/C10H20N2/c1-9(2)3-6-12-7-4-10(11)5-8-12/h3,10H,4-8,11H2,1-2H3
InChIKeyPAGWRPSCTUYREK-UHFFFAOYSA-N
XLogP1.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.38
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 1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43556892) is 1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(N)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is PAGWRPSCTUYREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)3-6-12-7-4-10(11)5-8-12/h3,10H,4-8,11H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 168.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43556892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).