3,4-diamino-2,5,6-trimethylcyclohexan-1-ol

C9H20N2O — CID 163574132

IUPAC3,4-diamino-2,5,6-trimethylcyclohexan-1-ol
SMILESCC1C(C)C(O)C(C)C(N)C1N
InChIInChI=1S/C9H20N2O/c1-4-5(2)9(12)6(3)8(11)7(4)10/h4-9,12H,10-11H2,1-3H3
InChIKeyGBYIXRCLKLGLHM-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.08
Rot. Bonds

About 3,4-diamino-2,5,6-trimethylcyclohexan-1-ol

3,4-diamino-2,5,6-trimethylcyclohexan-1-ol (PubChem CID 163574132) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3,4-diamino-2,5,6-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3,4-diamino-2,5,6-trimethylcyclohexan-1-ol
PubChem CID163574132
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3,4-diamino-2,5,6-trimethylcyclohexan-1-ol
SMILESCC1C(C)C(O)C(C)C(N)C1N
InChIInChI=1S/C9H20N2O/c1-4-5(2)9(12)6(3)8(11)7(4)10/h4-9,12H,10-11H2,1-3H3
InChIKeyGBYIXRCLKLGLHM-UHFFFAOYSA-N
XLogP-0.08
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5,6-pentamethylcyclohexan-1-ol
CID 18730220
(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
(1S,2R,4S,5S)-3,6-diaminocyclohexane-1,2,4,5-tetrol
CID 130935032
(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
CID 89232142
(2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol
CID 59870886
(1R,2S,4R,5S)-6-methylcyclohexane-1,2,3,4,5-pentol
CID 59630573
(1R,2R,3S,4R)-5-aminocyclopentane-1,2,3,4-tetrol
CID 42628065
ethane;5-ethyl-2,3-dimethylcyclohexane-1,4-diol
CID 91133722
2,3,5-trimethylcycloheptane-1,4-diol
CID 123379780
(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol
CID 59078216
ethane;6-methylcyclohexane-1,2,3,4,5-pentol
CID 143664733
[(1S,2R,3S)-2-amino-3-methylcyclopropyl]methanol
CID 131846797

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-2,5,6-trimethylcyclohexan-1-ol?
The IUPAC name of 3,4-diamino-2,5,6-trimethylcyclohexan-1-ol (CID 163574132) is 3,4-diamino-2,5,6-trimethylcyclohexan-1-ol.
What is the SMILES notation for 3,4-diamino-2,5,6-trimethylcyclohexan-1-ol?
The canonical SMILES for 3,4-diamino-2,5,6-trimethylcyclohexan-1-ol is CC1C(C)C(O)C(C)C(N)C1N.
What is the InChIKey of 3,4-diamino-2,5,6-trimethylcyclohexan-1-ol?
The InChIKey is GBYIXRCLKLGLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-5(2)9(12)6(3)8(11)7(4)10/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 3,4-diamino-2,5,6-trimethylcyclohexan-1-ol?
3,4-diamino-2,5,6-trimethylcyclohexan-1-ol has a molecular weight of 172.27 g/mol, XLogP of -0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-2,5,6-trimethylcyclohexan-1-ol is sourced from PubChem (CID 163574132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).