4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine

C13H22N2O — CID 57268510

IUPAC4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC(C)OC1=CC(C=CCCN)=CN(C)C1
InChIInChI=1S/C13H22N2O/c1-11(2)16-13-8-12(6-4-5-7-14)9-15(3)10-13/h4,6,8-9,11H,5,7,10,14H2,1-3H3
InChIKeyUVKFRZDPRCIVCF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.03
Rot. Bonds5

About 4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine

4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine (PubChem CID 57268510) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine
PubChem CID57268510
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine
SMILESCC(C)OC1=CC(C=CCCN)=CN(C)C1
InChIInChI=1S/C13H22N2O/c1-11(2)16-13-8-12(6-4-5-7-14)9-15(3)10-13/h4,6,8-9,11H,5,7,10,14H2,1-3H3
InChIKeyUVKFRZDPRCIVCF-UHFFFAOYSA-N
XLogP2.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 54273935
4-(3-methoxy-1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57024558
4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57283088
(E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine
CID 67414693
5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine
CID 67602404
(E)-4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 68755854
5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine
CID 68757725
(E)-4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine
CID 69349635
(E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 70179765
(E)-4-(3-methoxy-1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 70180297
(E)-4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine
CID 70255677
4-[1-methyl-3-(2-methylpropoxy)-2H-pyridin-5-yl]but-3-en-1-amine
CID 77643200

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine?
The IUPAC name of 4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine (CID 57268510) is 4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine.
What is the SMILES notation for 4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine?
The canonical SMILES for 4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine is CC(C)OC1=CC(C=CCCN)=CN(C)C1.
What is the InChIKey of 4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine?
The InChIKey is UVKFRZDPRCIVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)16-13-8-12(6-4-5-7-14)9-15(3)10-13/h4,6,8-9,11H,5,7,10,14H2,1-3H3.
What are the key properties of 4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine?
4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 57268510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).