(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride

C12H21ClN2 — CID 171230282

IUPAC(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@H](N)c1cccc(C)n1.Cl
InChIInChI=1S/C12H20N2.ClH/c1-3-4-5-8-11(13)12-9-6-7-10(2)14-12;/h6-7,9,11H,3-5,8,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyJHNLKSICPBHLRK-MERQFXBCSA-N
MW228.77 g/mol
LogP3.39
Rot. Bonds5

About (1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride

(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride (PubChem CID 171230282) has the molecular formula C12H21ClN2 and a molecular weight of 228.77 g/mol. Its IUPAC name is (1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
PubChem CID171230282
Molecular FormulaC12H21ClN2
Molecular Weight228.77 g/mol
Exact Mass228.14
IUPAC Name(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@H](N)c1cccc(C)n1.Cl
InChIInChI=1S/C12H20N2.ClH/c1-3-4-5-8-11(13)12-9-6-7-10(2)14-12;/h6-7,9,11H,3-5,8,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyJHNLKSICPBHLRK-MERQFXBCSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 53.39
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

(1R)-1-(6-methyl-2-pyridinyl)pentan-1-amine;hydrochloride
CID 171210683
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
(1R)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine;hydrochloride
CID 171210678
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine
CID 171230275
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 115516744
1-quinolin-2-yloctan-1-amine
CID 63222846
(1R)-3-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 96644382
6-(1-aminopentyl)pyridine-2-carboxylic acid
CID 171922233
1-quinoxalin-2-ylhexan-1-amine
CID 107357026
1-phenylhexan-1-amine;hydrochloride
CID 3033249

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride (CID 171230282) is (1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride is CCCCC[C@H](N)c1cccc(C)n1.Cl.
What is the InChIKey of (1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride?
The InChIKey is JHNLKSICPBHLRK-MERQFXBCSA-N. The full InChI is InChI=1S/C12H20N2.ClH/c1-3-4-5-8-11(13)12-9-6-7-10(2)14-12;/h6-7,9,11H,3-5,8,13H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride?
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride has a molecular weight of 228.77 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171230282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).