ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine

C13H22N2 — CID 91227633

IUPACethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine
SMILESC/C=C(\C)N(C)Cc1cccnc1.CC
InChIInChI=1S/C11H16N2.C2H6/c1-4-10(2)13(3)9-11-6-5-7-12-8-11;1-2/h4-8H,9H2,1-3H3;1-2H3/b10-4+;
InChIKeyHLHOHSNSGSCMHA-FCVRUTMISA-N
MW206.33 g/mol
LogP3.46
Rot. Bonds3

About ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine

ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine (PubChem CID 91227633) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine.

Molecular Properties

Compound Nameethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine
PubChem CID91227633
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine
SMILESC/C=C(\C)N(C)Cc1cccnc1.CC
InChIInChI=1S/C11H16N2.C2H6/c1-4-10(2)13(3)9-11-6-5-7-12-8-11;1-2/h4-8H,9H2,1-3H3;1-2H3/b10-4+;
InChIKeyHLHOHSNSGSCMHA-FCVRUTMISA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine;(E)-N-methyl-N-(1,3-thiazol-5-ylmethyl)but-2-en-2-amine
CID 158173480
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
(Z)-2,3-dimethyl-4-[methyl(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 55167727
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
CID 174532487
CID 174532487
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine?
The IUPAC name of ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine (CID 91227633) is ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine.
What is the SMILES notation for ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine?
The canonical SMILES for ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine is C/C=C(\C)N(C)Cc1cccnc1.CC.
What is the InChIKey of ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine?
The InChIKey is HLHOHSNSGSCMHA-FCVRUTMISA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-4-10(2)13(3)9-11-6-5-7-12-8-11;1-2/h4-8H,9H2,1-3H3;1-2H3/b10-4+;.
What are the key properties of ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine?
ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine has a molecular weight of 206.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine is sourced from PubChem (CID 91227633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).