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

C13H26N2 — CID 62568825

IUPAC2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(C)CC1C
InChIInChI=1S/C13H26N2/c1-5-7-14-10-13(4)15-8-6-11(2)9-12(15)3/h5,11-14H,1,6-10H2,2-4H3
InChIKeyXYWXIRUEXLNWTF-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds5

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

2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine (PubChem CID 62568825) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
PubChem CID62568825
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(C)CC1C
InChIInChI=1S/C13H26N2/c1-5-7-14-10-13(4)15-8-6-11(2)9-12(15)3/h5,11-14H,1,6-10H2,2-4H3
InChIKeyXYWXIRUEXLNWTF-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine (CID 62568825) is 2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCC(C)CC1C.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
The InChIKey is XYWXIRUEXLNWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-7-14-10-13(4)15-8-6-11(2)9-12(15)3/h5,11-14H,1,6-10H2,2-4H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine?
2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62568825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).