4-aminohexane-1,2-diol

C6H15NO2 — CID 18615667

IUPAC4-aminohexane-1,2-diol
SMILESCCC(N)CC(O)CO
InChIInChI=1S/C6H15NO2/c1-2-5(7)3-6(9)4-8/h5-6,8-9H,2-4,7H2,1H3
InChIKeyKHKPXNWMPCKDQO-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.53
Rot. Bonds4

About 4-aminohexane-1,2-diol

4-aminohexane-1,2-diol (PubChem CID 18615667) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 4-aminohexane-1,2-diol.

Molecular Properties

Compound Name4-aminohexane-1,2-diol
PubChem CID18615667
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name4-aminohexane-1,2-diol
SMILESCCC(N)CC(O)CO
InChIInChI=1S/C6H15NO2/c1-2-5(7)3-6(9)4-8/h5-6,8-9H,2-4,7H2,1H3
InChIKeyKHKPXNWMPCKDQO-UHFFFAOYSA-N
XLogP-0.53
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-aminohexane-1,2-diol
CID 170888613
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 18615667) 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.
What is the InChIKey of 4-aminohexane-1,2-diol?
The InChIKey is KHKPXNWMPCKDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-2-5(7)3-6(9)4-8/h5-6,8-9H,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 133.19 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminohexane-1,2-diol is sourced from PubChem (CID 18615667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).