2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine

C13H26N2 — CID 62568804

IUPAC2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCCC(CC)C1
InChIInChI=1S/C13H26N2/c1-4-8-14-10-12(3)15-9-6-7-13(5-2)11-15/h4,12-14H,1,5-11H2,2-3H3
InChIKeyOQWZFBGPEXNSMC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds6

About 2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine

2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 62568804) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
PubChem CID62568804
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCCC(CC)C1
InChIInChI=1S/C13H26N2/c1-4-8-14-10-12(3)15-9-6-7-13(5-2)11-15/h4,12-14H,1,5-11H2,2-3H3
InChIKeyOQWZFBGPEXNSMC-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.27
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-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine (CID 62568804) is 2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCCC(CC)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is OQWZFBGPEXNSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-8-14-10-12(3)15-9-6-7-13(5-2)11-15/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62568804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).