ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine

C17H34N2O — CID 142163967

IUPACethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine
SMILESC=CN.CC(C)=CC(C)OCCCC1CCN(C)CC1
InChIInChI=1S/C15H29NO.C2H5N/c1-13(2)12-14(3)17-11-5-6-15-7-9-16(4)10-8-15;1-2-3/h12,14-15H,5-11H2,1-4H3;2H,1,3H2
InChIKeySPLZMOIBZXYFST-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.57
Rot. Bonds6

About ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine

ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine (PubChem CID 142163967) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine.

Molecular Properties

Compound Nameethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine
PubChem CID142163967
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Nameethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine
SMILESC=CN.CC(C)=CC(C)OCCCC1CCN(C)CC1
InChIInChI=1S/C15H29NO.C2H5N/c1-13(2)12-14(3)17-11-5-6-15-7-9-16(4)10-8-15;1-2-3/h12,14-15H,5-11H2,1-4H3;2H,1,3H2
InChIKeySPLZMOIBZXYFST-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine
CID 142163968

Frequently Asked Questions

What is the IUPAC name of ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine?
The IUPAC name of ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine (CID 142163967) is ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine.
What is the SMILES notation for ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine?
The canonical SMILES for ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine is C=CN.CC(C)=CC(C)OCCCC1CCN(C)CC1.
What is the InChIKey of ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine?
The InChIKey is SPLZMOIBZXYFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO.C2H5N/c1-13(2)12-14(3)17-11-5-6-15-7-9-16(4)10-8-15;1-2-3/h12,14-15H,5-11H2,1-4H3;2H,1,3H2.
What are the key properties of ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine?
ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine has a molecular weight of 282.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;1-methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine is sourced from PubChem (CID 142163967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).