N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine

C13H24N2 — CID 167215452

IUPACN-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)N1CCC(C)(CC)CC1
InChIInChI=1S/C13H24N2/c1-6-13(5)7-9-15(10-8-13)12(4)14-11(2)3/h14H,2,4,6-10H2,1,3,5H3
InChIKeyVGUQWLUPRMHOQD-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.09
Rot. Bonds4

About N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine

N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine (PubChem CID 167215452) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine
PubChem CID167215452
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)N1CCC(C)(CC)CC1
InChIInChI=1S/C13H24N2/c1-6-13(5)7-9-15(10-8-13)12(4)14-11(2)3/h14H,2,4,6-10H2,1,3,5H3
InChIKeyVGUQWLUPRMHOQD-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine?
The IUPAC name of N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine (CID 167215452) is N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine.
What is the SMILES notation for N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine?
The canonical SMILES for N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine is C=C(C)NC(=C)N1CCC(C)(CC)CC1.
What is the InChIKey of N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine?
The InChIKey is VGUQWLUPRMHOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-13(5)7-9-15(10-8-13)12(4)14-11(2)3/h14H,2,4,6-10H2,1,3,5H3.
What are the key properties of N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine?
N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine has a molecular weight of 208.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethyl-4-methylpiperidin-1-yl)ethenyl]prop-1-en-2-amine is sourced from PubChem (CID 167215452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).