N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine

C11H21BrN2 — CID 115717320

IUPACN-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine
SMILESC=C(Br)CNC1CCN(CC)C(C)C1
InChIInChI=1S/C11H21BrN2/c1-4-14-6-5-11(7-10(14)3)13-8-9(2)12/h10-11,13H,2,4-8H2,1,3H3
InChIKeyISBBUHAXTSQBOS-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.36
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine

N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine (PubChem CID 115717320) has the molecular formula C11H21BrN2 and a molecular weight of 261.21 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine
PubChem CID115717320
Molecular FormulaC11H21BrN2
Molecular Weight261.21 g/mol
Exact Mass260.09
IUPAC NameN-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine
SMILESC=C(Br)CNC1CCN(CC)C(C)C1
InChIInChI=1S/C11H21BrN2/c1-4-14-6-5-11(7-10(14)3)13-8-9(2)12/h10-11,13H,2,4-8H2,1,3H3
InChIKeyISBBUHAXTSQBOS-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-1,2-dimethylpiperidin-4-amine
CID 81345297
(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
CID 103906419
1-ethyl-2-methyl-N-(2-methylbutyl)piperidin-4-amine
CID 115887559
1-ethyl-2-methyl-N-(2-methylpentyl)piperidin-4-amine
CID 115907342
2-[(1-ethyl-2-methylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 115891321
N-cyclohexyl-1-ethyl-2-methylpiperidin-4-amine
CID 115654044
N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine
CID 115705729
N-ethyl-2-methyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 106191056
1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine
CID 115709757
5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
CID 115716628
1-ethyl-2-methyl-N-(2-propylcyclopropyl)piperidin-4-amine
CID 115892178
1-ethyl-2,4,5-trimethylazepane
CID 118247359

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine (CID 115717320) is N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine is C=C(Br)CNC1CCN(CC)C(C)C1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine?
The InChIKey is ISBBUHAXTSQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2/c1-4-14-6-5-11(7-10(14)3)13-8-9(2)12/h10-11,13H,2,4-8H2,1,3H3.
What are the key properties of N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine?
N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine has a molecular weight of 261.21 g/mol, XLogP of 2.36, 4 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-ethyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 115717320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).