N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine

C14H28N2O — CID 55087816

IUPACN-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine
SMILESC=CCNCC(C)N1CCCC(OCCC)C1
InChIInChI=1S/C14H28N2O/c1-4-8-15-11-13(3)16-9-6-7-14(12-16)17-10-5-2/h4,13-15H,1,5-12H2,2-3H3
InChIKeyMYDUDERVBMMZAO-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds8

About N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine

N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine (PubChem CID 55087816) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine
PubChem CID55087816
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine
SMILESC=CCNCC(C)N1CCCC(OCCC)C1
InChIInChI=1S/C14H28N2O/c1-4-8-15-11-13(3)16-9-6-7-14(12-16)17-10-5-2/h4,13-15H,1,5-12H2,2-3H3
InChIKeyMYDUDERVBMMZAO-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine?
The IUPAC name of N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine (CID 55087816) is N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine is C=CCNCC(C)N1CCCC(OCCC)C1.
What is the InChIKey of N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine?
The InChIKey is MYDUDERVBMMZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-8-15-11-13(3)16-9-6-7-14(12-16)17-10-5-2/h4,13-15H,1,5-12H2,2-3H3.
What are the key properties of N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine?
N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(3-propoxypiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 55087816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).