1-pyridin-4-ylhex-5-en-3-amine

C11H16N2 — CID 105108635

IUPAC1-pyridin-4-ylhex-5-en-3-amine
SMILESC=CCC(N)CCc1ccncc1
InChIInChI=1S/C11H16N2/c1-2-3-11(12)5-4-10-6-8-13-9-7-10/h2,6-9,11H,1,3-5,12H2
InChIKeyOFHRNFBEZFGWPA-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.92
Rot. Bonds5

About 1-pyridin-4-ylhex-5-en-3-amine

1-pyridin-4-ylhex-5-en-3-amine (PubChem CID 105108635) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-pyridin-4-ylhex-5-en-3-amine.

Molecular Properties

Compound Name1-pyridin-4-ylhex-5-en-3-amine
PubChem CID105108635
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-pyridin-4-ylhex-5-en-3-amine
SMILESC=CCC(N)CCc1ccncc1
InChIInChI=1S/C11H16N2/c1-2-3-11(12)5-4-10-6-8-13-9-7-10/h2,6-9,11H,1,3-5,12H2
InChIKeyOFHRNFBEZFGWPA-UHFFFAOYSA-N
XLogP1.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-pyridin-4-ylhex-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

Related Compounds

1-pyridin-4-ylhexan-3-amine
CID 105080578
1-cyclohexyl-4-pyridin-4-ylbutan-2-amine
CID 105135881
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
1-pyridin-4-ylhept-5-yn-3-amine
CID 105112690
2-methyl-5-pyridin-4-ylpent-1-en-3-amine
CID 105163804
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105152473
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
CID 105187569
(4S)-octa-1,7-dien-4-amine
CID 124537914
(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
CID 171200285

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylhex-5-en-3-amine?
The IUPAC name of 1-pyridin-4-ylhex-5-en-3-amine (CID 105108635) is 1-pyridin-4-ylhex-5-en-3-amine.
What is the SMILES notation for 1-pyridin-4-ylhex-5-en-3-amine?
The canonical SMILES for 1-pyridin-4-ylhex-5-en-3-amine is C=CCC(N)CCc1ccncc1.
What is the InChIKey of 1-pyridin-4-ylhex-5-en-3-amine?
The InChIKey is OFHRNFBEZFGWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-3-11(12)5-4-10-6-8-13-9-7-10/h2,6-9,11H,1,3-5,12H2.
What are the key properties of 1-pyridin-4-ylhex-5-en-3-amine?
1-pyridin-4-ylhex-5-en-3-amine has a molecular weight of 176.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylhex-5-en-3-amine is sourced from PubChem (CID 105108635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).