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

C15H28N2 — CID 115892408

IUPAC1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2CC(C)C2)CC1
InChIInChI=1S/C15H28N2/c1-12(2)4-7-17-8-5-14(6-9-17)16-15-10-13(3)11-15/h4,13-16H,5-11H2,1-3H3
InChIKeyYJMBCCWSQJLSTL-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.81
Rot. Bonds4

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

1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine (PubChem CID 115892408) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine
PubChem CID115892408
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2CC(C)C2)CC1
InChIInChI=1S/C15H28N2/c1-12(2)4-7-17-8-5-14(6-9-17)16-15-10-13(3)11-15/h4,13-16H,5-11H2,1-3H3
InChIKeyYJMBCCWSQJLSTL-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
1-methyl-N-(2-methylprop-2-en-1-yl)piperidin-4-amine
CID 60694042
N-[(1-prop-2-enylpiperidin-4-yl)methyl]propan-2-amine
CID 62591505
N-(3-methylbut-2-enyl)piperidin-4-amine
CID 68607564
N-(3-methylbut-2-enyl)-1-propan-2-ylpiperidin-4-amine
CID 103605381
1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 103605382
1-ethyl-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 103605383
1-[(E)-but-2-enyl]-N-methylpiperidin-4-amine
CID 107898566
N-(2-methylprop-2-enyl)piperidin-4-amine
CID 114615489
1-tert-butyl-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 118231383
N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine
CID 123684409
1-(3,3-dimethylbutyl)-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 123740105

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine (CID 115892408) is 1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine is CC(C)=CCN1CCC(NC2CC(C)C2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine?
The InChIKey is YJMBCCWSQJLSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-12(2)4-7-17-8-5-14(6-9-17)16-15-10-13(3)11-15/h4,13-16H,5-11H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine has a molecular weight of 236.40 g/mol, XLogP of 2.81, 4 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-(3-methylcyclobutyl)piperidin-4-amine is sourced from PubChem (CID 115892408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).