1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine

C12H16N2 — CID 106755808

IUPAC1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1ccnc(C)c1
InChIInChI=1S/C12H16N2/c1-3-4-5-6-12(13)11-7-8-14-10(2)9-11/h1,7-9,12H,4-6,13H2,2H3
InChIKeyLHFVPZNSHWQMAI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.19
Rot. Bonds4

About 1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine

1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine (PubChem CID 106755808) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine
PubChem CID106755808
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1ccnc(C)c1
InChIInChI=1S/C12H16N2/c1-3-4-5-6-12(13)11-7-8-14-10(2)9-11/h1,7-9,12H,4-6,13H2,2H3
InChIKeyLHFVPZNSHWQMAI-UHFFFAOYSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methyl-4-pyridinyl)hex-5-yn-1-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-(2-methyl-4-pyridinyl)propan-1-amine
CID 55295377
2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55292030
(2S)-2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55264047
1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179674
1-(3-methoxy-4-methylphenyl)hex-5-yn-1-amine
CID 105033862
1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine
CID 106755330
3-(1-aminohex-5-ynyl)-N,N-dimethylaniline
CID 105179526
1-(4-ethylsulfanylphenyl)hex-5-yn-1-amine
CID 106848699
(1S,2R)-2-amino-1-(2-methyl-4-pyridinyl)propan-1-ol
CID 96740451
1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine
CID 106756698
2-(1-methylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755605
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine
CID 105179636

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine?
The IUPAC name of 1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine (CID 106755808) is 1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine is C#CCCCC(N)c1ccnc(C)c1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine?
The InChIKey is LHFVPZNSHWQMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-4-5-6-12(13)11-7-8-14-10(2)9-11/h1,7-9,12H,4-6,13H2,2H3.
What are the key properties of 1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine?
1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine is sourced from PubChem (CID 106755808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).