N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine

C12H24N2 — CID 77010197

IUPACN-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine
SMILESCC=CCN1CCCC(CNCC)C1
InChIInChI=1S/C12H24N2/c1-3-5-8-14-9-6-7-12(11-14)10-13-4-2/h3,5,12-13H,4,6-11H2,1-2H3
InChIKeyDVVXQCRAGIWWIV-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds5

About N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine

N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine (PubChem CID 77010197) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine
PubChem CID77010197
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine
SMILESCC=CCN1CCCC(CNCC)C1
InChIInChI=1S/C12H24N2/c1-3-5-8-14-9-6-7-12(11-14)10-13-4-2/h3,5,12-13H,4,6-11H2,1-2H3
InChIKeyDVVXQCRAGIWWIV-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-but-2-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
CID 77010187
N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62581148
N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine
CID 63847588
N-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 62581307
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
5-[3-(ethylaminomethyl)piperidin-1-yl]pentan-1-ol
CID 63848813
4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79354793
(E)-N-[(1-methylpiperidin-3-yl)methyl]but-2-en-1-amine
CID 107898888
2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde
CID 62031139
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]methyl]ethanamine
CID 112589860
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
CID 63848807

Frequently Asked Questions

What is the IUPAC name of N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine (CID 77010197) is N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine is CC=CCN1CCCC(CNCC)C1.
What is the InChIKey of N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is DVVXQCRAGIWWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-5-8-14-9-6-7-12(11-14)10-13-4-2/h3,5,12-13H,4,6-11H2,1-2H3.
What are the key properties of N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine?
N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 77010197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).