ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine

C13H22N2 — CID 178172838

IUPACethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
SMILESC=C(C)N(C)CCc1ccccn1.CC
InChIInChI=1S/C11H16N2.C2H6/c1-10(2)13(3)9-7-11-6-4-5-8-12-11;1-2/h4-6,8H,1,7,9H2,2-3H3;1-2H3
InChIKeyLVOLEOKUWXNOFQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.12
Rot. Bonds4

About ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine

ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine (PubChem CID 178172838) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
PubChem CID178172838
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
SMILESC=C(C)N(C)CCc1ccccn1.CC
InChIInChI=1S/C11H16N2.C2H6/c1-10(2)13(3)9-7-11-6-4-5-8-12-11;1-2/h4-6,8H,1,7,9H2,2-3H3;1-2H3
InChIKeyLVOLEOKUWXNOFQ-UHFFFAOYSA-N
XLogP3.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
methyl(2-pyridin-2-ylethyl)carbamodithioic acid
CID 88510653
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
2-(dimethylamino)ethanol;ethane;2-pyridin-2-ylethanol
CID 168995371
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307
2-(2-fluorophenyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 60616184
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine?
The IUPAC name of ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine (CID 178172838) is ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine.
What is the SMILES notation for ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine?
The canonical SMILES for ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine is C=C(C)N(C)CCc1ccccn1.CC.
What is the InChIKey of ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine?
The InChIKey is LVOLEOKUWXNOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-10(2)13(3)9-7-11-6-4-5-8-12-11;1-2/h4-6,8H,1,7,9H2,2-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine?
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine has a molecular weight of 206.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine is sourced from PubChem (CID 178172838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).