(3R)-5,6-diaminohexan-3-ol

C6H16N2O — CID 89425679

IUPAC(3R)-5,6-diaminohexan-3-ol
SMILESCC[C@@H](O)CC(N)CN
InChIInChI=1S/C6H16N2O/c1-2-6(9)3-5(8)4-7/h5-6,9H,2-4,7-8H2,1H3/t5?,6-/m1/s1
InChIKeyCPMKGIAFVVWZFF-PRJDIBJQSA-N
MW132.21 g/mol
LogP-0.57
Rot. Bonds4

About (3R)-5,6-diaminohexan-3-ol

(3R)-5,6-diaminohexan-3-ol (PubChem CID 89425679) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is (3R)-5,6-diaminohexan-3-ol.

Molecular Properties

Compound Name(3R)-5,6-diaminohexan-3-ol
PubChem CID89425679
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name(3R)-5,6-diaminohexan-3-ol
SMILESCC[C@@H](O)CC(N)CN
InChIInChI=1S/C6H16N2O/c1-2-6(9)3-5(8)4-7/h5-6,9H,2-4,7-8H2,1H3/t5?,6-/m1/s1
InChIKeyCPMKGIAFVVWZFF-PRJDIBJQSA-N
XLogP-0.57
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-heptane-3,5-diol
CID 12641368
3,10-diaminododecane-5,8-diol
CID 165390918
(3R,5S)-5-amino-6-methylheptan-3-ol
CID 53487701
4-aminohexane-1,2-diol
CID 170888613
1-aminobutan-2-ol;3-aminobutan-2-ol
CID 159145044
4-aminohexane-1,2-diol
CID 18615667
carbanide;hexane-2,4-diol;yttrium
CID 59749638
pentan-3-ol
CID 11428
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
acetic acid;3,4-diaminobutane-1,1-diol
CID 87796171
1-aminobutan-2-ol;propane-1,3-diamine
CID 159214940
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
CID 15348708

Frequently Asked Questions

What is the IUPAC name of (3R)-5,6-diaminohexan-3-ol?
The IUPAC name of (3R)-5,6-diaminohexan-3-ol (CID 89425679) is (3R)-5,6-diaminohexan-3-ol.
What is the SMILES notation for (3R)-5,6-diaminohexan-3-ol?
The canonical SMILES for (3R)-5,6-diaminohexan-3-ol is CC[C@@H](O)CC(N)CN.
What is the InChIKey of (3R)-5,6-diaminohexan-3-ol?
The InChIKey is CPMKGIAFVVWZFF-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H16N2O/c1-2-6(9)3-5(8)4-7/h5-6,9H,2-4,7-8H2,1H3/t5?,6-/m1/s1.
What are the key properties of (3R)-5,6-diaminohexan-3-ol?
(3R)-5,6-diaminohexan-3-ol has a molecular weight of 132.21 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5,6-diaminohexan-3-ol is sourced from PubChem (CID 89425679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).