(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine

C11H19N3 — CID 171230275

IUPAC(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine
SMILESCc1cccc([C@@H](N)CCCCN)n1
InChIInChI=1S/C11H19N3/c1-9-5-4-7-11(14-9)10(13)6-2-3-8-12/h4-5,7,10H,2-3,6,8,12-13H2,1H3/t10-/m0/s1
InChIKeyTUKXFNZIZIMGMB-JTQLQIEISA-N
MW193.29 g/mol
LogP1.52
Rot. Bonds5

About (1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine

(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine (PubChem CID 171230275) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine
PubChem CID171230275
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine
SMILESCc1cccc([C@@H](N)CCCCN)n1
InChIInChI=1S/C11H19N3/c1-9-5-4-7-11(14-9)10(13)6-2-3-8-12/h4-5,7,10H,2-3,6,8,12-13H2,1H3/t10-/m0/s1
InChIKeyTUKXFNZIZIMGMB-JTQLQIEISA-N
XLogP1.52
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)pentane-1,5-diamine;hydrochloride
CID 171210678
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
(1R)-1-(6-methyl-2-pyridinyl)pentan-1-amine;hydrochloride
CID 171210683
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
CID 55265043
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 115516744
(1R)-3-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 96644382
(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 99737673
(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
CID 171223884
(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
CID 55293021
(1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
CID 130817388

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine?
The IUPAC name of (1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine (CID 171230275) is (1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine.
What is the SMILES notation for (1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine?
The canonical SMILES for (1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine is Cc1cccc([C@@H](N)CCCCN)n1.
What is the InChIKey of (1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine?
The InChIKey is TUKXFNZIZIMGMB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3/c1-9-5-4-7-11(14-9)10(13)6-2-3-8-12/h4-5,7,10H,2-3,6,8,12-13H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine?
(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine is sourced from PubChem (CID 171230275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).