(3R,4S)-4-aminohexan-3-ol

C6H15NO — CID 640991

IUPAC(3R,4S)-4-aminohexan-3-ol
SMILESCC[C@@H](O)[C@@H](N)CC
InChIInChI=1S/C6H15NO/c1-3-5(7)6(8)4-2/h5-6,8H,3-4,7H2,1-2H3/t5-,6+/m0/s1
InChIKeyIOYVGJNAPMXLLT-NTSWFWBYSA-N
MW117.19 g/mol
LogP0.49
Rot. Bonds3

About (3R,4S)-4-aminohexan-3-ol

(3R,4S)-4-aminohexan-3-ol (PubChem CID 640991) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (3R,4S)-4-aminohexan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-aminohexan-3-ol
PubChem CID640991
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(3R,4S)-4-aminohexan-3-ol
SMILESCC[C@@H](O)[C@@H](N)CC
InChIInChI=1S/C6H15NO/c1-3-5(7)6(8)4-2/h5-6,8H,3-4,7H2,1-2H3/t5-,6+/m0/s1
InChIKeyIOYVGJNAPMXLLT-NTSWFWBYSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-fluoropentan-2-ol
CID 10772967
(2S)-1,2-diaminopentan-3-ol
CID 129142351
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
(4S)-1,4-diaminohexan-3-ol
CID 149307886
5-amino-2-methylheptan-4-ol
CID 21419745
(2R)-2-aminobutane-1,1-diol
CID 148517870
hexane-3,4-diamine
CID 12656175
3-amino-1-phenylpentan-2-ol
CID 57155399
(E)-3-aminooct-6-en-4-ol
CID 20676249
1,2-diaminohexane-3,4-diol
CID 57132033
(2R,3S,4R)-2-aminohexane-1,3,4-triol
CID 89364894
1,2-diaminopentane-1,3-diol
CID 57066183

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-aminohexan-3-ol?
The IUPAC name of (3R,4S)-4-aminohexan-3-ol (CID 640991) is (3R,4S)-4-aminohexan-3-ol.
What is the SMILES notation for (3R,4S)-4-aminohexan-3-ol?
The canonical SMILES for (3R,4S)-4-aminohexan-3-ol is CC[C@@H](O)[C@@H](N)CC.
What is the InChIKey of (3R,4S)-4-aminohexan-3-ol?
The InChIKey is IOYVGJNAPMXLLT-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-5(7)6(8)4-2/h5-6,8H,3-4,7H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (3R,4S)-4-aminohexan-3-ol?
(3R,4S)-4-aminohexan-3-ol has a molecular weight of 117.19 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-aminohexan-3-ol is sourced from PubChem (CID 640991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).