4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol

C9H20N2O2 — CID 123479804

IUPAC4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol
SMILESCNC1CC(O)C(O)CC1N(C)C
InChIInChI=1S/C9H20N2O2/c1-10-6-4-8(12)9(13)5-7(6)11(2)3/h6-10,12-13H,4-5H2,1-3H3
InChIKeyNYWOTNIVAGUGHS-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.98
Rot. Bonds2

About 4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol

4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol (PubChem CID 123479804) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol.

Molecular Properties

Compound Name4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol
PubChem CID123479804
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol
SMILESCNC1CC(O)C(O)CC1N(C)C
InChIInChI=1S/C9H20N2O2/c1-10-6-4-8(12)9(13)5-7(6)11(2)3/h6-10,12-13H,4-5H2,1-3H3
InChIKeyNYWOTNIVAGUGHS-UHFFFAOYSA-N
XLogP-0.98
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R,3S,4R)-3-(dimethylamino)-4-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R,4S)-3-hydroxy-4-(methylamino)cyclopentyl]carbamate
CID 159804213
(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol
CID 14139769
(3S)-4-(dimethylamino)-6-methyloxan-3-ol
CID 89038501
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
(1R)-1-[2-(methylamino)cyclopropyl]propan-1-ol
CID 158498138
(1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol
CID 125453764
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
(3R,4R)-4-(methylamino)oxolan-3-ol
CID 73357418
5-(methylamino)cyclohexane-1,3-diol
CID 69462878
N-ethyl-N-[(5S)-2-(ethylamino)-4,5-dihydroxycyclohexyl]acetamide
CID 121478864
(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 134459131
cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol?
The IUPAC name of 4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol (CID 123479804) is 4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol.
What is the SMILES notation for 4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol?
The canonical SMILES for 4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol is CNC1CC(O)C(O)CC1N(C)C.
What is the InChIKey of 4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol?
The InChIKey is NYWOTNIVAGUGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-10-6-4-8(12)9(13)5-7(6)11(2)3/h6-10,12-13H,4-5H2,1-3H3.
What are the key properties of 4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol?
4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol has a molecular weight of 188.27 g/mol, XLogP of -0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-5-(methylamino)cyclohexane-1,2-diol is sourced from PubChem (CID 123479804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).