3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine

C13H26N2 — CID 103522776

IUPAC3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine
SMILESCC(C)=CCNC(C)C1CCCN(C)C1
InChIInChI=1S/C13H26N2/c1-11(2)7-8-14-12(3)13-6-5-9-15(4)10-13/h7,12-14H,5-6,8-10H2,1-4H3
InChIKeyMPLRTXFRDMYDFQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds4

About 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine

3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine (PubChem CID 103522776) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine
PubChem CID103522776
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine
SMILESCC(C)=CCNC(C)C1CCCN(C)C1
InChIInChI=1S/C13H26N2/c1-11(2)7-8-14-12(3)13-6-5-9-15(4)10-13/h7,12-14H,5-6,8-10H2,1-4H3
InChIKeyMPLRTXFRDMYDFQ-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.27
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

2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine
CID 114615500
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759
2-[1-(1-methylpiperidin-3-yl)ethylamino]acetamide
CID 43307274
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 114168984
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 103902104
ethyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]acetate
CID 60811081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine?
The IUPAC name of 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine (CID 103522776) is 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine is CC(C)=CCNC(C)C1CCCN(C)C1.
What is the InChIKey of 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine?
The InChIKey is MPLRTXFRDMYDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)7-8-14-12(3)13-6-5-9-15(4)10-13/h7,12-14H,5-6,8-10H2,1-4H3.
What are the key properties of 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine?
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine is sourced from PubChem (CID 103522776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).