(Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine

C13H24N2 — CID 142001789

IUPAC(Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine
SMILESC=CN(/C=C\CC)CC1CCC(C)NC1
InChIInChI=1S/C13H24N2/c1-4-6-9-15(5-2)11-13-8-7-12(3)14-10-13/h5-6,9,12-14H,2,4,7-8,10-11H2,1,3H3/b9-6-
InChIKeyKVCOYPHFJYLTRH-TWGQIWQCSA-N
MW208.35 g/mol
LogP2.74
Rot. Bonds5

About (Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine

(Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine (PubChem CID 142001789) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine
PubChem CID142001789
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine
SMILESC=CN(/C=C\CC)CC1CCC(C)NC1
InChIInChI=1S/C13H24N2/c1-4-6-9-15(5-2)11-13-8-7-12(3)14-10-13/h5-6,9,12-14H,2,4,7-8,10-11H2,1,3H3/b9-6-
InChIKeyKVCOYPHFJYLTRH-TWGQIWQCSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine?
The IUPAC name of (Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine (CID 142001789) is (Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine?
The canonical SMILES for (Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine is C=CN(/C=C\CC)CC1CCC(C)NC1.
What is the InChIKey of (Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine?
The InChIKey is KVCOYPHFJYLTRH-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-6-9-15(5-2)11-13-8-7-12(3)14-10-13/h5-6,9,12-14H,2,4,7-8,10-11H2,1,3H3/b9-6-.
What are the key properties of (Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine?
(Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-N-[(6-methylpiperidin-3-yl)methyl]but-1-en-1-amine is sourced from PubChem (CID 142001789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).