2,4-diaminocyclohexane-1,3-diol

C6H14N2O2 — CID 14760875

IUPAC2,4-diaminocyclohexane-1,3-diol
SMILESNC1CCC(O)C(N)C1O
InChIInChI=1S/C6H14N2O2/c7-3-1-2-4(9)5(8)6(3)10/h3-6,9-10H,1-2,7-8H2
InChIKeyJTYOAYBZSGVACH-UHFFFAOYSA-N
MW146.19 g/mol
LogP-1.84
Rot. Bonds

About 2,4-diaminocyclohexane-1,3-diol

2,4-diaminocyclohexane-1,3-diol (PubChem CID 14760875) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,4-diaminocyclohexane-1,3-diol.

Molecular Properties

Compound Name2,4-diaminocyclohexane-1,3-diol
PubChem CID14760875
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2,4-diaminocyclohexane-1,3-diol
SMILESNC1CCC(O)C(N)C1O
InChIInChI=1S/C6H14N2O2/c7-3-1-2-4(9)5(8)6(3)10/h3-6,9-10H,1-2,7-8H2
InChIKeyJTYOAYBZSGVACH-UHFFFAOYSA-N
XLogP-1.84
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,3R)-2-aminocyclopentane-1,3-diol
CID 11768778
(1S)-2,3-diaminocyclohexan-1-ol
CID 138662284
(1R,4S,5R,8R)-5-aminobicyclo[6.1.0]nonan-4-ol
CID 125454997
(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol
CID 10176209
(1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol
CID 11356181
(1R,2S,5S)-2-amino-5-hydroxycyclopentane-1-carboxylic acid
CID 11321017
(1R,6R)-6-aminobicyclo[3.1.0]hexan-2-ol
CID 83814962
(1S,2R,3S,4R,5S)-4,5-diaminocyclohexane-1,2,3-triol
CID 11160674
(1S,2S,4S)-2,4-diaminocyclohexan-1-ol
CID 55289345
6-amino-3-ethyl-2-methylcyclohexan-1-ol
CID 156818437
(1S,2R,3S,4S,5R)-2,5-diamino-4-methoxycyclohexane-1,3-diol
CID 138571231
(1S,2R,4S,5S)-3,6-diaminocyclohexane-1,2,4,5-tetrol
CID 130935032

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminocyclohexane-1,3-diol?
The IUPAC name of 2,4-diaminocyclohexane-1,3-diol (CID 14760875) is 2,4-diaminocyclohexane-1,3-diol.
What is the SMILES notation for 2,4-diaminocyclohexane-1,3-diol?
The canonical SMILES for 2,4-diaminocyclohexane-1,3-diol is NC1CCC(O)C(N)C1O.
What is the InChIKey of 2,4-diaminocyclohexane-1,3-diol?
The InChIKey is JTYOAYBZSGVACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-3-1-2-4(9)5(8)6(3)10/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 2,4-diaminocyclohexane-1,3-diol?
2,4-diaminocyclohexane-1,3-diol has a molecular weight of 146.19 g/mol, XLogP of -1.84, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminocyclohexane-1,3-diol is sourced from PubChem (CID 14760875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).