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

C15H28N2O — CID 43778538

IUPAC1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)3-8-17-9-4-14(5-10-17)16-15-6-11-18-12-7-15/h3,14-16H,4-12H2,1-2H3
InChIKeyCRGQPNMQRNGUSJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.19
Rot. Bonds4

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

1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 43778538) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine
PubChem CID43778538
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)3-8-17-9-4-14(5-10-17)16-15-6-11-18-12-7-15/h3,14-16H,4-12H2,1-2H3
InChIKeyCRGQPNMQRNGUSJ-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methylbut-2-enyl)-N-(oxan-4-yl)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

N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303
1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
CID 43769519
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43770121
N-[3-(cyclopropylmethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43770798
N-[3-(2-methoxyethoxy)propyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43770913
N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43771254
1-(3-methylbut-2-enyl)-N-(3-propan-2-yloxypropyl)piperidin-4-amine
CID 43771390
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43778419
1-(3-methylbut-2-enyl)-N-(oxan-3-ylmethyl)piperidin-4-amine
CID 54906122

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine (CID 43778538) is 1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine is CC(C)=CCN1CCC(NC2CCOCC2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is CRGQPNMQRNGUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)3-8-17-9-4-14(5-10-17)16-15-6-11-18-12-7-15/h3,14-16H,4-12H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 252.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 43778538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).