1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine

C12H16N2 — CID 105112231

IUPAC1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1ccc(C)nc1C
InChIInChI=1S/C12H16N2/c1-4-5-6-12(13)11-8-7-9(2)14-10(11)3/h7-8,12H,6,13H2,1-3H3
InChIKeyIRRXOGXKLAAFFF-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.11
Rot. Bonds2

About 1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine

1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine (PubChem CID 105112231) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine
PubChem CID105112231
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1ccc(C)nc1C
InChIInChI=1S/C12H16N2/c1-4-5-6-12(13)11-8-7-9(2)14-10(11)3/h7-8,12H,6,13H2,1-3H3
InChIKeyIRRXOGXKLAAFFF-UHFFFAOYSA-N
XLogP2.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-N-ethylpent-3-yn-1-amine
CID 105112281
(2R)-2-amino-2-(2,6-dimethyl-3-pyridinyl)ethanol
CID 96740448
1-(2,6-dimethyl-3-pyridinyl)-N-methylhex-4-yn-1-amine
CID 105181422
1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol
CID 105126569
(1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine
CID 55294133
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
1-(2,6-dimethyl-3-pyridinyl)-3-methylidenepentan-1-amine
CID 105163949
1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine
CID 105112423
1-pyridin-4-ylpent-3-yn-1-amine
CID 62311977
(1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol
CID 55292437
1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine
CID 115819722
bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine (CID 105112231) is 1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine is CC#CCC(N)c1ccc(C)nc1C.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine?
The InChIKey is IRRXOGXKLAAFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-5-6-12(13)11-8-7-9(2)14-10(11)3/h7-8,12H,6,13H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine?
1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine is sourced from PubChem (CID 105112231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).