4-aminohexane-1,2-diol

C12H30N2O4 — CID 170888613

IUPAC4-aminohexane-1,2-diol
SMILESCCC(N)CC(O)CO.CCC(N)CC(O)CO
InChIInChI=1S/2C6H15NO2/c2*1-2-5(7)3-6(9)4-8/h2*5-6,8-9H,2-4,7H2,1H3
InChIKeyWPCCLLBPANWXEX-UHFFFAOYSA-N
MW266.38 g/mol
LogP-1.07
Rot. Bonds8

About 4-aminohexane-1,2-diol

4-aminohexane-1,2-diol (PubChem CID 170888613) has the molecular formula C12H30N2O4 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-aminohexane-1,2-diol.

Molecular Properties

Compound Name4-aminohexane-1,2-diol
PubChem CID170888613
Molecular FormulaC12H30N2O4
Molecular Weight266.38 g/mol
Exact Mass266.22
IUPAC Name4-aminohexane-1,2-diol
SMILESCCC(N)CC(O)CO.CCC(N)CC(O)CO
InChIInChI=1S/2C6H15NO2/c2*1-2-5(7)3-6(9)4-8/h2*5-6,8-9H,2-4,7H2,1H3
InChIKeyWPCCLLBPANWXEX-UHFFFAOYSA-N
XLogP-1.07
TPSA132.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 5-1.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

4-aminohexane-1,2-diol
CID 18615667
3,10-diaminododecane-5,8-diol
CID 165390918
4-amino-2-ethylhexan-1-ol
CID 148917024
(5R)-heptane-3,5-diamine
CID 118180613
4-aminopentane-1,2-diol
CID 12701364
(3R)-5,6-diaminohexan-3-ol
CID 89425679
butane-1,2-diol;methane
CID 158754649
butane-1,2-diol;hydrochloride
CID 141185193
2-aminoheptane-1,5-diol
CID 130023350
butane-1,2-diol;propane-1,1-diol
CID 87697932
4-amino-2-hydroxyhexanamide
CID 87857755
2-aminooctadecane-1,4-diol
CID 12701355

Frequently Asked Questions

What is the IUPAC name of 4-aminohexane-1,2-diol?
The IUPAC name of 4-aminohexane-1,2-diol (CID 170888613) is 4-aminohexane-1,2-diol.
What is the SMILES notation for 4-aminohexane-1,2-diol?
The canonical SMILES for 4-aminohexane-1,2-diol is CCC(N)CC(O)CO.CCC(N)CC(O)CO.
What is the InChIKey of 4-aminohexane-1,2-diol?
The InChIKey is WPCCLLBPANWXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15NO2/c2*1-2-5(7)3-6(9)4-8/h2*5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 4-aminohexane-1,2-diol?
4-aminohexane-1,2-diol has a molecular weight of 266.38 g/mol, XLogP of -1.07, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminohexane-1,2-diol is sourced from PubChem (CID 170888613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).