1-(5-methyl-3-pyridinyl)hexan-1-amine

C12H20N2 — CID 105023199

IUPAC1-(5-methyl-3-pyridinyl)hexan-1-amine
SMILESCCCCCC(N)c1cncc(C)c1
InChIInChI=1S/C12H20N2/c1-3-4-5-6-12(13)11-7-10(2)8-14-9-11/h7-9,12H,3-6,13H2,1-2H3
InChIKeyRBWROGANRKUMMR-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.97
Rot. Bonds5

About 1-(5-methyl-3-pyridinyl)hexan-1-amine

1-(5-methyl-3-pyridinyl)hexan-1-amine (PubChem CID 105023199) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)hexan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)hexan-1-amine
PubChem CID105023199
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(5-methyl-3-pyridinyl)hexan-1-amine
SMILESCCCCCC(N)c1cncc(C)c1
InChIInChI=1S/C12H20N2/c1-3-4-5-6-12(13)11-7-10(2)8-14-9-11/h7-9,12H,3-6,13H2,1-2H3
InChIKeyRBWROGANRKUMMR-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105022916
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
CID 105173870
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105023057
2-ethyl-1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105022799
1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179674
1-(5-methyl-3-pyridinyl)pentylhydrazine
CID 105245659
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
3-heptan-4-yl-5-methylpyridine
CID 134266506
1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine
CID 105181558
5-[(1R)-1-aminopentyl]pyridine-3-carbonitrile
CID 55263350
1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984298

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)hexan-1-amine?
The IUPAC name of 1-(5-methyl-3-pyridinyl)hexan-1-amine (CID 105023199) is 1-(5-methyl-3-pyridinyl)hexan-1-amine.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)hexan-1-amine?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)hexan-1-amine is CCCCCC(N)c1cncc(C)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)hexan-1-amine?
The InChIKey is RBWROGANRKUMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-4-5-6-12(13)11-7-10(2)8-14-9-11/h7-9,12H,3-6,13H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)hexan-1-amine?
1-(5-methyl-3-pyridinyl)hexan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.97, 5 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)hexan-1-amine is sourced from PubChem (CID 105023199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).