N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane

C13H28N2 — CID 171531220

IUPACN,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane
SMILESC=C(CN(C)C)N1CCCCC1C.CC
InChIInChI=1S/C11H22N2.C2H6/c1-10-7-5-6-8-13(10)11(2)9-12(3)4;1-2/h10H,2,5-9H2,1,3-4H3;1-2H3
InChIKeyTTYDGJFEGHTIIN-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.96
Rot. Bonds3

About N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane

N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane (PubChem CID 171531220) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane
PubChem CID171531220
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane
SMILESC=C(CN(C)C)N1CCCCC1C.CC
InChIInChI=1S/C11H22N2.C2H6/c1-10-7-5-6-8-13(10)11(2)9-12(3)4;1-2/h10H,2,5-9H2,1,3-4H3;1-2H3
InChIKeyTTYDGJFEGHTIIN-UHFFFAOYSA-N
XLogP2.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane?
The IUPAC name of N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane (CID 171531220) is N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane.
What is the SMILES notation for N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane?
The canonical SMILES for N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane is C=C(CN(C)C)N1CCCCC1C.CC.
What is the InChIKey of N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane?
The InChIKey is TTYDGJFEGHTIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C2H6/c1-10-7-5-6-8-13(10)11(2)9-12(3)4;1-2/h10H,2,5-9H2,1,3-4H3;1-2H3.
What are the key properties of N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane?
N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane has a molecular weight of 212.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane is sourced from PubChem (CID 171531220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).