(4R)-6-aminohexane-1,4-diol

C6H15NO2 — CID 89292424

IUPAC(4R)-6-aminohexane-1,4-diol
SMILESNCC[C@H](O)CCCO
InChIInChI=1S/C6H15NO2/c7-4-3-6(9)2-1-5-8/h6,8-9H,1-5,7H2/t6-/m1/s1
InChIKeyWRTHJMIVQMHFOQ-ZCFIWIBFSA-N
MW133.19 g/mol
LogP-0.53
Rot. Bonds5

About (4R)-6-aminohexane-1,4-diol

(4R)-6-aminohexane-1,4-diol (PubChem CID 89292424) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is (4R)-6-aminohexane-1,4-diol.

Molecular Properties

Compound Name(4R)-6-aminohexane-1,4-diol
PubChem CID89292424
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name(4R)-6-aminohexane-1,4-diol
SMILESNCC[C@H](O)CCCO
InChIInChI=1S/C6H15NO2/c7-4-3-6(9)2-1-5-8/h6,8-9H,1-5,7H2/t6-/m1/s1
InChIKeyWRTHJMIVQMHFOQ-ZCFIWIBFSA-N
XLogP-0.53
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

8-aminooctane-1,4-diol
CID 123424341
tridecane-1,4,13-triol
CID 90439734
1-aminooctan-3-ol
CID 21436343
(3R)-1-aminooctan-3-ol
CID 22797502
hexadecane-1,8,16-triol
CID 11403100
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,3,16-triol
CID 90439794
octadecane-1,3,18-triol
CID 90439804
(4S)-undecane-1,4-diol
CID 98092447
nonane-1,4,6,8-tetrol
CID 57099696
5-aminopentane-1,2-diol;hydrochloride
CID 86645443

Frequently Asked Questions

What is the IUPAC name of (4R)-6-aminohexane-1,4-diol?
The IUPAC name of (4R)-6-aminohexane-1,4-diol (CID 89292424) is (4R)-6-aminohexane-1,4-diol.
What is the SMILES notation for (4R)-6-aminohexane-1,4-diol?
The canonical SMILES for (4R)-6-aminohexane-1,4-diol is NCC[C@H](O)CCCO.
What is the InChIKey of (4R)-6-aminohexane-1,4-diol?
The InChIKey is WRTHJMIVQMHFOQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H15NO2/c7-4-3-6(9)2-1-5-8/h6,8-9H,1-5,7H2/t6-/m1/s1.
What are the key properties of (4R)-6-aminohexane-1,4-diol?
(4R)-6-aminohexane-1,4-diol has a molecular weight of 133.19 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-aminohexane-1,4-diol is sourced from PubChem (CID 89292424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).