N-methyl-4-piperidin-1-ylbut-2-en-1-amine

C10H20N2 — CID 67361039

IUPACN-methyl-4-piperidin-1-ylbut-2-en-1-amine
SMILESCNCC=CCN1CCCCC1
InChIInChI=1S/C10H20N2/c1-11-7-3-6-10-12-8-4-2-5-9-12/h3,6,11H,2,4-5,7-10H2,1H3
InChIKeyQSOKUMQFZXIOCK-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds4

About N-methyl-4-piperidin-1-ylbut-2-en-1-amine

N-methyl-4-piperidin-1-ylbut-2-en-1-amine (PubChem CID 67361039) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-4-piperidin-1-ylbut-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-4-piperidin-1-ylbut-2-en-1-amine
PubChem CID67361039
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-4-piperidin-1-ylbut-2-en-1-amine
SMILESCNCC=CCN1CCCCC1
InChIInChI=1S/C10H20N2/c1-11-7-3-6-10-12-8-4-2-5-9-12/h3,6,11H,2,4-5,7-10H2,1H3
InChIKeyQSOKUMQFZXIOCK-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-piperidin-1-ylbut-2-en-1-amine?
The IUPAC name of N-methyl-4-piperidin-1-ylbut-2-en-1-amine (CID 67361039) is N-methyl-4-piperidin-1-ylbut-2-en-1-amine.
What is the SMILES notation for N-methyl-4-piperidin-1-ylbut-2-en-1-amine?
The canonical SMILES for N-methyl-4-piperidin-1-ylbut-2-en-1-amine is CNCC=CCN1CCCCC1.
What is the InChIKey of N-methyl-4-piperidin-1-ylbut-2-en-1-amine?
The InChIKey is QSOKUMQFZXIOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-11-7-3-6-10-12-8-4-2-5-9-12/h3,6,11H,2,4-5,7-10H2,1H3.
What are the key properties of N-methyl-4-piperidin-1-ylbut-2-en-1-amine?
N-methyl-4-piperidin-1-ylbut-2-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-piperidin-1-ylbut-2-en-1-amine is sourced from PubChem (CID 67361039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).