N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine

C11H21BrN2 — CID 63847588

IUPACN-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine
SMILESC=C(Br)CN1CCCC(CNCC)C1
InChIInChI=1S/C11H21BrN2/c1-3-13-7-11-5-4-6-14(9-11)8-10(2)12/h11,13H,2-9H2,1H3
InChIKeyDHVZSYQJPYGWEQ-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.22
Rot. Bonds5

About N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine

N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 63847588) has the molecular formula C11H21BrN2 and a molecular weight of 261.21 g/mol. Its IUPAC name is N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine
PubChem CID63847588
Molecular FormulaC11H21BrN2
Molecular Weight261.21 g/mol
Exact Mass260.09
IUPAC NameN-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine
SMILESC=C(Br)CN1CCCC(CNCC)C1
InChIInChI=1S/C11H21BrN2/c1-3-13-7-11-5-4-6-14(9-11)8-10(2)12/h11,13H,2-9H2,1H3
InChIKeyDHVZSYQJPYGWEQ-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
CID 63848807
N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62581148
N-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 62581307
N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine
CID 77010197
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
5-[3-(ethylaminomethyl)piperidin-1-yl]pentan-1-ol
CID 63848813
4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79354793
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]methyl]ethanamine
CID 112589860
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456
N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine (CID 63847588) is N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine is C=C(Br)CN1CCCC(CNCC)C1.
What is the InChIKey of N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is DHVZSYQJPYGWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2/c1-3-13-7-11-5-4-6-14(9-11)8-10(2)12/h11,13H,2-9H2,1H3.
What are the key properties of N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 261.21 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63847588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).