(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine

C13H20N2 — CID 757307

IUPAC(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
SMILESC/C=C(\C)CN(C)CCc1ccccn1
InChIInChI=1S/C13H20N2/c1-4-12(2)11-15(3)10-8-13-7-5-6-9-14-13/h4-7,9H,8,10-11H2,1-3H3/b12-4+
InChIKeyLYAKXFMRGVRFNM-UUILKARUSA-N
MW204.32 g/mol
LogP2.52
Rot. Bonds5

About (E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine

(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine (PubChem CID 757307) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
PubChem CID757307
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
SMILESC/C=C(\C)CN(C)CCc1ccccn1
InChIInChI=1S/C13H20N2/c1-4-12(2)11-15(3)10-8-13-7-5-6-9-14-13/h4-7,9H,8,10-11H2,1-3H3/b12-4+
InChIKeyLYAKXFMRGVRFNM-UUILKARUSA-N
XLogP2.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
1-(2-chlorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228057
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 61289139
6-chloro-N-methyl-N-(2-pyridin-2-ylethyl)hexan-1-amine
CID 62229678
1-(3,4-dihydroxyphenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43794216
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine (CID 757307) is (E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine is C/C=C(\C)CN(C)CCc1ccccn1.
What is the InChIKey of (E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine?
The InChIKey is LYAKXFMRGVRFNM-UUILKARUSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-12(2)11-15(3)10-8-13-7-5-6-9-14-13/h4-7,9H,8,10-11H2,1-3H3/b12-4+.
What are the key properties of (E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine?
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine is sourced from PubChem (CID 757307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).