2-but-3-enyl-N,N-dimethylpiperidin-1-amine

C11H22N2 — CID 135045768

IUPAC2-but-3-enyl-N,N-dimethylpiperidin-1-amine
SMILESC=CCCC1CCCCN1N(C)C
InChIInChI=1S/C11H22N2/c1-4-5-8-11-9-6-7-10-13(11)12(2)3/h4,11H,1,5-10H2,2-3H3
InChIKeyVEURNNWREKMVDM-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.28
Rot. Bonds4

About 2-but-3-enyl-N,N-dimethylpiperidin-1-amine

2-but-3-enyl-N,N-dimethylpiperidin-1-amine (PubChem CID 135045768) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-but-3-enyl-N,N-dimethylpiperidin-1-amine.

Molecular Properties

Compound Name2-but-3-enyl-N,N-dimethylpiperidin-1-amine
PubChem CID135045768
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-but-3-enyl-N,N-dimethylpiperidin-1-amine
SMILESC=CCCC1CCCCN1N(C)C
InChIInChI=1S/C11H22N2/c1-4-5-8-11-9-6-7-10-13(11)12(2)3/h4,11H,1,5-10H2,2-3H3
InChIKeyVEURNNWREKMVDM-UHFFFAOYSA-N
XLogP2.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
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 2-but-3-enyl-N,N-dimethylpiperidin-1-amine?
The IUPAC name of 2-but-3-enyl-N,N-dimethylpiperidin-1-amine (CID 135045768) is 2-but-3-enyl-N,N-dimethylpiperidin-1-amine.
What is the SMILES notation for 2-but-3-enyl-N,N-dimethylpiperidin-1-amine?
The canonical SMILES for 2-but-3-enyl-N,N-dimethylpiperidin-1-amine is C=CCCC1CCCCN1N(C)C.
What is the InChIKey of 2-but-3-enyl-N,N-dimethylpiperidin-1-amine?
The InChIKey is VEURNNWREKMVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-8-11-9-6-7-10-13(11)12(2)3/h4,11H,1,5-10H2,2-3H3.
What are the key properties of 2-but-3-enyl-N,N-dimethylpiperidin-1-amine?
2-but-3-enyl-N,N-dimethylpiperidin-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-N,N-dimethylpiperidin-1-amine is sourced from PubChem (CID 135045768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).