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

C14H28N2 — CID 43756435

IUPAC1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-12(2)5-8-16-9-6-14(7-10-16)15-11-13(3)4/h5,13-15H,6-11H2,1-4H3
InChIKeyPKTHHINVXGCYFR-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds5

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

1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 43756435) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine
PubChem CID43756435
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-12(2)5-8-16-9-6-14(7-10-16)15-11-13(3)4/h5,13-15H,6-11H2,1-4H3
InChIKeyPKTHHINVXGCYFR-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
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)-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine (CID 43756435) is 1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine is CC(C)=CCN1CCC(NCC(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is PKTHHINVXGCYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)5-8-16-9-6-14(7-10-16)15-11-13(3)4/h5,13-15H,6-11H2,1-4H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 5 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)-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 43756435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).