6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine

C14H22N2O — CID 57085897

IUPAC6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine
SMILESCCC(N)CC=Cc1cncc(OC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-4-13(15)7-5-6-12-8-14(10-16-9-12)17-11(2)3/h5-6,8-11,13H,4,7,15H2,1-3H3
InChIKeyZAQSKFPNJNVROY-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.01
Rot. Bonds6

About 6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine

6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine (PubChem CID 57085897) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine.

Molecular Properties

Compound Name6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine
PubChem CID57085897
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine
SMILESCCC(N)CC=Cc1cncc(OC(C)C)c1
InChIInChI=1S/C14H22N2O/c1-4-13(15)7-5-6-12-8-14(10-16-9-12)17-11(2)3/h5-6,8-11,13H,4,7,15H2,1-3H3
InChIKeyZAQSKFPNJNVROY-UHFFFAOYSA-N
XLogP3.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine?
The IUPAC name of 6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine (CID 57085897) is 6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine.
What is the SMILES notation for 6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine?
The canonical SMILES for 6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine is CCC(N)CC=Cc1cncc(OC(C)C)c1.
What is the InChIKey of 6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine?
The InChIKey is ZAQSKFPNJNVROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-13(15)7-5-6-12-8-14(10-16-9-12)17-11(2)3/h5-6,8-11,13H,4,7,15H2,1-3H3.
What are the key properties of 6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine?
6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine has a molecular weight of 234.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-propan-2-yloxy-3-pyridinyl)hex-5-en-3-amine is sourced from PubChem (CID 57085897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).