(5R)-5-aminohexan-2-ol

C6H15NO — CID 144692574

IUPAC(5R)-5-aminohexan-2-ol
SMILESCC(O)CC[C@@H](C)N
InChIInChI=1S/C6H15NO/c1-5(7)3-4-6(2)8/h5-6,8H,3-4,7H2,1-2H3/t5-,6?/m1/s1
InChIKeyXHKYHXSLZPTQLZ-LWOQYNTDSA-N
MW117.19 g/mol
LogP0.49
Rot. Bonds3

About (5R)-5-aminohexan-2-ol

(5R)-5-aminohexan-2-ol (PubChem CID 144692574) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (5R)-5-aminohexan-2-ol.

Molecular Properties

Compound Name(5R)-5-aminohexan-2-ol
PubChem CID144692574
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(5R)-5-aminohexan-2-ol
SMILESCC(O)CC[C@@H](C)N
InChIInChI=1S/C6H15NO/c1-5(7)3-4-6(2)8/h5-6,8H,3-4,7H2,1-2H3/t5-,6?/m1/s1
InChIKeyXHKYHXSLZPTQLZ-LWOQYNTDSA-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

(5R)-hexane-2,5-diamine
CID 144618459
ethane;hexane-2,5-diol
CID 143963822
pentadecane-2,5,8,11,14-pentol
CID 175190041
butane-1,3-diol
CID 159666523
ethane;5-methylhexan-2-ol
CID 144624886
(2R,5R)-5-amino-2-methylhexan-1-ol
CID 167005595
2-aminononan-5-ol
CID 123577589
butane-1,3-diol;ethanol
CID 88835658
(2R,3S)-3-methylheptane-2,6-diamine
CID 174083116
acetic acid;hexane-2,5-diol
CID 71365730
5-amino-2-methylhexanamide
CID 71433088
6-amino-3-methylheptan-2-one
CID 171808053

Frequently Asked Questions

What is the IUPAC name of (5R)-5-aminohexan-2-ol?
The IUPAC name of (5R)-5-aminohexan-2-ol (CID 144692574) is (5R)-5-aminohexan-2-ol.
What is the SMILES notation for (5R)-5-aminohexan-2-ol?
The canonical SMILES for (5R)-5-aminohexan-2-ol is CC(O)CC[C@@H](C)N.
What is the InChIKey of (5R)-5-aminohexan-2-ol?
The InChIKey is XHKYHXSLZPTQLZ-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H15NO/c1-5(7)3-4-6(2)8/h5-6,8H,3-4,7H2,1-2H3/t5-,6?/m1/s1.
What are the key properties of (5R)-5-aminohexan-2-ol?
(5R)-5-aminohexan-2-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 (5R)-5-aminohexan-2-ol is sourced from PubChem (CID 144692574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).