(E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine

C14H24N2O — CID 67414693

IUPAC(E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine
SMILESCC(C)OC1=CC(/C=C/C[C@H](C)N)=CN(C)C1
InChIInChI=1S/C14H24N2O/c1-11(2)17-14-8-13(9-16(4)10-14)7-5-6-12(3)15/h5,7-9,11-12H,6,10,15H2,1-4H3/b7-5+/t12-/m0/s1
InChIKeyFXDHVFVBQPIIJB-PZBABLGHSA-N
MW236.36 g/mol
LogP2.42
Rot. Bonds5

About (E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine

(E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine (PubChem CID 67414693) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name(E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine
PubChem CID67414693
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine
SMILESCC(C)OC1=CC(/C=C/C[C@H](C)N)=CN(C)C1
InChIInChI=1S/C14H24N2O/c1-11(2)17-14-8-13(9-16(4)10-14)7-5-6-12(3)15/h5,7-9,11-12H,6,10,15H2,1-4H3/b7-5+/t12-/m0/s1
InChIKeyFXDHVFVBQPIIJB-PZBABLGHSA-N
XLogP2.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine?
The IUPAC name of (E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine (CID 67414693) is (E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine.
What is the SMILES notation for (E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine?
The canonical SMILES for (E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine is CC(C)OC1=CC(/C=C/C[C@H](C)N)=CN(C)C1.
What is the InChIKey of (E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine?
The InChIKey is FXDHVFVBQPIIJB-PZBABLGHSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)17-14-8-13(9-16(4)10-14)7-5-6-12(3)15/h5,7-9,11-12H,6,10,15H2,1-4H3/b7-5+/t12-/m0/s1.
What are the key properties of (E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine?
(E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine is sourced from PubChem (CID 67414693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).