1-(3,5-dimethylpiperidin-1-yl)ethenamine

C9H18N2 — CID 89325074

IUPAC1-(3,5-dimethylpiperidin-1-yl)ethenamine
SMILESC=C(N)N1CC(C)CC(C)C1
InChIInChI=1S/C9H18N2/c1-7-4-8(2)6-11(5-7)9(3)10/h7-8H,3-6,10H2,1-2H3
InChIKeyYRGLNHYXOKVZMP-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.39
Rot. Bonds1

About 1-(3,5-dimethylpiperidin-1-yl)ethenamine

1-(3,5-dimethylpiperidin-1-yl)ethenamine (PubChem CID 89325074) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)ethenamine.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)ethenamine
PubChem CID89325074
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)ethenamine
SMILESC=C(N)N1CC(C)CC(C)C1
InChIInChI=1S/C9H18N2/c1-7-4-8(2)6-11(5-7)9(3)10/h7-8H,3-6,10H2,1-2H3
InChIKeyYRGLNHYXOKVZMP-UHFFFAOYSA-N
XLogP1.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)ethenamine?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)ethenamine (CID 89325074) is 1-(3,5-dimethylpiperidin-1-yl)ethenamine.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)ethenamine?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)ethenamine is C=C(N)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)ethenamine?
The InChIKey is YRGLNHYXOKVZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-4-8(2)6-11(5-7)9(3)10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)ethenamine?
1-(3,5-dimethylpiperidin-1-yl)ethenamine has a molecular weight of 154.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)ethenamine is sourced from PubChem (CID 89325074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).