N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine

C12H23BrN2 — CID 115717138

IUPACN-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESC=C(Br)CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C12H23BrN2/c1-10(2)9-15-6-4-12(5-7-15)14-8-11(3)13/h10,12,14H,3-9H2,1-2H3
InChIKeyLTBYPBJVAJGMTA-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.61
Rot. Bonds5

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

N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 115717138) has the molecular formula C12H23BrN2 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID115717138
Molecular FormulaC12H23BrN2
Molecular Weight275.23 g/mol
Exact Mass274.10
IUPAC NameN-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESC=C(Br)CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C12H23BrN2/c1-10(2)9-15-6-4-12(5-7-15)14-8-11(3)13/h10,12,14H,3-9H2,1-2H3
InChIKeyLTBYPBJVAJGMTA-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)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-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115901349
N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine
CID 144655866
1-(2-methylpropyl)-N-prop-2-enylpiperidin-4-amine
CID 102613965
N,N-diethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetamide
CID 103779036
ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate
CID 107094633
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103783971
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine;hydrochloride
CID 115607087
N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine
CID 115901593
N-(2-ethoxyethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115709922
N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
CID 102673464

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine (CID 115717138) is N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine is C=C(Br)CNC1CCN(CC(C)C)CC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is LTBYPBJVAJGMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2/c1-10(2)9-15-6-4-12(5-7-15)14-8-11(3)13/h10,12,14H,3-9H2,1-2H3.
What are the key properties of N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine?
N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 275.23 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 115717138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).