1-pyridin-4-ylhex-5-yn-2-amine

C11H14N2 — CID 63642414

IUPAC1-pyridin-4-ylhex-5-yn-2-amine
SMILESC#CCCC(N)Cc1ccncc1
InChIInChI=1S/C11H14N2/c1-2-3-4-11(12)9-10-5-7-13-8-6-10/h1,5-8,11H,3-4,9,12H2
InChIKeyGXAYHGRIFIZTJO-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.36
Rot. Bonds4

About 1-pyridin-4-ylhex-5-yn-2-amine

1-pyridin-4-ylhex-5-yn-2-amine (PubChem CID 63642414) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-pyridin-4-ylhex-5-yn-2-amine.

Molecular Properties

Compound Name1-pyridin-4-ylhex-5-yn-2-amine
PubChem CID63642414
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-pyridin-4-ylhex-5-yn-2-amine
SMILESC#CCCC(N)Cc1ccncc1
InChIInChI=1S/C11H14N2/c1-2-3-4-11(12)9-10-5-7-13-8-6-10/h1,5-8,11H,3-4,9,12H2
InChIKeyGXAYHGRIFIZTJO-UHFFFAOYSA-N
XLogP1.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-pyridin-4-ylhex-5-yn-2-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-ylhept-5-yn-2-amine
CID 104805272
4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine
CID 105160708
(4R)-4-amino-5-pyridin-4-ylpentanoic acid
CID 66644679
1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine
CID 65476489
4-(2-methylbut-3-ynyl)pyridine
CID 83929898
4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine
CID 114530112
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861
3-propyl-1-pyridin-4-ylhexan-2-amine
CID 82987506
N-propyl-1-pyridin-4-ylhept-6-yn-3-amine
CID 105149151
1-pyridin-4-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642945
(2S)-2-amino-3-pyridin-4-ylpropanal
CID 22827621
5-(oxolan-2-yl)-1-pyridin-4-ylpentan-2-amine
CID 65164603

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylhex-5-yn-2-amine?
The IUPAC name of 1-pyridin-4-ylhex-5-yn-2-amine (CID 63642414) is 1-pyridin-4-ylhex-5-yn-2-amine.
What is the SMILES notation for 1-pyridin-4-ylhex-5-yn-2-amine?
The canonical SMILES for 1-pyridin-4-ylhex-5-yn-2-amine is C#CCCC(N)Cc1ccncc1.
What is the InChIKey of 1-pyridin-4-ylhex-5-yn-2-amine?
The InChIKey is GXAYHGRIFIZTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-3-4-11(12)9-10-5-7-13-8-6-10/h1,5-8,11H,3-4,9,12H2.
What are the key properties of 1-pyridin-4-ylhex-5-yn-2-amine?
1-pyridin-4-ylhex-5-yn-2-amine has a molecular weight of 174.25 g/mol, XLogP of 1.36, 4 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-yn-2-amine is sourced from PubChem (CID 63642414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).