(2R)-2-amino-5-methylhexane-1,5-diol

C7H17NO2 — CID 163243365

IUPAC(2R)-2-amino-5-methylhexane-1,5-diol
SMILESCC(C)(O)CC[C@@H](N)CO
InChIInChI=1S/C7H17NO2/c1-7(2,10)4-3-6(8)5-9/h6,9-10H,3-5,8H2,1-2H3/t6-/m1/s1
InChIKeyWHIIWLLIAYVTTA-ZCFIWIBFSA-N
MW147.22 g/mol
LogP-0.14
Rot. Bonds4

About (2R)-2-amino-5-methylhexane-1,5-diol

(2R)-2-amino-5-methylhexane-1,5-diol (PubChem CID 163243365) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2R)-2-amino-5-methylhexane-1,5-diol.

Molecular Properties

Compound Name(2R)-2-amino-5-methylhexane-1,5-diol
PubChem CID163243365
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2R)-2-amino-5-methylhexane-1,5-diol
SMILESCC(C)(O)CC[C@@H](N)CO
InChIInChI=1S/C7H17NO2/c1-7(2,10)4-3-6(8)5-9/h6,9-10H,3-5,8H2,1-2H3/t6-/m1/s1
InChIKeyWHIIWLLIAYVTTA-ZCFIWIBFSA-N
XLogP-0.14
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride
CID 170893103
2-amino-6,6-dimethylheptan-1-ol
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2-amino-5,7,7-trimethyloctan-1-ol
CID 170891955
2-aminoheptane-1,5-diol
CID 130023350
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406
(5R)-2,5,6-trimethylheptan-2-ol
CID 10176245
2,5-dimethylhexan-2-ol;ethene
CID 144803935
(2S)-2-aminoundecan-1-ol
CID 98129192
2,7-diaminononan-1-ol
CID 141295191
2-aminononadecan-1-ol
CID 87201322
(2S)-2-amino-3-methylbutane-1,3-diol
CID 15780959
(2S)-2-amino-4-fluorobutan-1-ol
CID 96551535

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-methylhexane-1,5-diol?
The IUPAC name of (2R)-2-amino-5-methylhexane-1,5-diol (CID 163243365) is (2R)-2-amino-5-methylhexane-1,5-diol.
What is the SMILES notation for (2R)-2-amino-5-methylhexane-1,5-diol?
The canonical SMILES for (2R)-2-amino-5-methylhexane-1,5-diol is CC(C)(O)CC[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-5-methylhexane-1,5-diol?
The InChIKey is WHIIWLLIAYVTTA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H17NO2/c1-7(2,10)4-3-6(8)5-9/h6,9-10H,3-5,8H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-2-amino-5-methylhexane-1,5-diol?
(2R)-2-amino-5-methylhexane-1,5-diol has a molecular weight of 147.22 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-methylhexane-1,5-diol is sourced from PubChem (CID 163243365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).