(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol

C10H16N2O — CID 55265043

IUPAC(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
SMILESCc1cccc([C@H](N)CCCO)n1
InChIInChI=1S/C10H16N2O/c1-8-4-2-6-10(12-8)9(11)5-3-7-13/h2,4,6,9,13H,3,5,7,11H2,1H3/t9-/m1/s1
InChIKeyYSMHWXLUHROMKC-SECBINFHSA-N
MW180.25 g/mol
LogP1.16
Rot. Bonds4

About (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol

(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol (PubChem CID 55265043) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
PubChem CID55265043
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol
SMILESCc1cccc([C@H](N)CCCO)n1
InChIInChI=1S/C10H16N2O/c1-8-4-2-6-10(12-8)9(11)5-3-7-13/h2,4,6,9,13H,3,5,7,11H2,1H3/t9-/m1/s1
InChIKeyYSMHWXLUHROMKC-SECBINFHSA-N
XLogP1.16
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
(1S)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine
CID 171230275
(1R)-1-(6-methyl-2-pyridinyl)pentan-1-amine;hydrochloride
CID 171210683
5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 115516744
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282
(1R)-1-(6-methyl-2-pyridinyl)pentane-1,5-diamine;hydrochloride
CID 171210678
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
(1R)-3-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 96644382
(1R)-3-methyl-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
CID 130817388
(3S)-3-amino-3-[6-(hydroxymethyl)-2-pyridinyl]propan-1-ol
CID 55292733
(1S)-3,3-dimethyl-1-(6-methyl-2-pyridinyl)butan-1-amine
CID 99737673
(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
CID 55293021

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol?
The IUPAC name of (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol (CID 55265043) is (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol.
What is the SMILES notation for (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol?
The canonical SMILES for (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol is Cc1cccc([C@H](N)CCCO)n1.
What is the InChIKey of (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol?
The InChIKey is YSMHWXLUHROMKC-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-4-2-6-10(12-8)9(11)5-3-7-13/h2,4,6,9,13H,3,5,7,11H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol?
(4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(6-methyl-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 55265043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).