2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine

C15H30N2 — CID 55159489

IUPAC2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(CC)(CC)CC1
InChIInChI=1S/C15H30N2/c1-5-10-16-13-14(4)17-11-8-15(6-2,7-3)9-12-17/h5,14,16H,1,6-13H2,2-4H3
InChIKeyYCNBOBFGGAGKFO-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.05
Rot. Bonds7

About 2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine

2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 55159489) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
PubChem CID55159489
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(CC)(CC)CC1
InChIInChI=1S/C15H30N2/c1-5-10-16-13-14(4)17-11-8-15(6-2,7-3)9-12-17/h5,14,16H,1,6-13H2,2-4H3
InChIKeyYCNBOBFGGAGKFO-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine (CID 55159489) is 2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCC(CC)(CC)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is YCNBOBFGGAGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-10-16-13-14(4)17-11-8-15(6-2,7-3)9-12-17/h5,14,16H,1,6-13H2,2-4H3.
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 55159489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).