1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine

C12H16N2 — CID 105181558

IUPAC1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cncc(C)c1
InChIInChI=1S/C12H16N2/c1-3-4-5-6-12(13)11-7-10(2)8-14-9-11/h7-9,12H,5-6,13H2,1-2H3
InChIKeyKCHCIRLWHSTWPN-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.19
Rot. Bonds3

About 1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine

1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine (PubChem CID 105181558) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine
PubChem CID105181558
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine
SMILESCC#CCCC(N)c1cncc(C)c1
InChIInChI=1S/C12H16N2/c1-3-4-5-6-12(13)11-7-10(2)8-14-9-11/h7-9,12H,5-6,13H2,1-2H3
InChIKeyKCHCIRLWHSTWPN-UHFFFAOYSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179674
1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105023199
1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105022916
1-(3,5-difluorophenyl)hex-4-yn-1-amine
CID 104805083
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
CID 105173870
1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984298
1-(3-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 104804543
2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 105023232
1-(3,5-dimethylphenyl)pent-3-yn-1-amine
CID 115819144
1-(2-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 105037331
3-heptan-4-yl-5-methylpyridine
CID 134266506
1-pyrimidin-5-ylpent-3-yn-1-amine
CID 102923310

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine?
The IUPAC name of 1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine (CID 105181558) is 1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine is CC#CCCC(N)c1cncc(C)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine?
The InChIKey is KCHCIRLWHSTWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-4-5-6-12(13)11-7-10(2)8-14-9-11/h7-9,12H,5-6,13H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine?
1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine is sourced from PubChem (CID 105181558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).