3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol

C10H20N2O2 — CID 163857991

IUPAC3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol
SMILESCNC12CC(O)CC1(NC)CC(O)C2
InChIInChI=1S/C10H20N2O2/c1-11-9-3-7(13)5-10(9,12-2)6-8(14)4-9/h7-8,11-14H,3-6H2,1-2H3
InChIKeyPAAFOXSIAAKSRN-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.79
Rot. Bonds2

About 3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol

3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol (PubChem CID 163857991) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol.

Molecular Properties

Compound Name3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol
PubChem CID163857991
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol
SMILESCNC12CC(O)CC1(NC)CC(O)C2
InChIInChI=1S/C10H20N2O2/c1-11-9-3-7(13)5-10(9,12-2)6-8(14)4-9/h7-8,11-14H,3-6H2,1-2H3
InChIKeyPAAFOXSIAAKSRN-UHFFFAOYSA-N
XLogP-0.79
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[2-(methylamino)ethyl]cyclobutan-1-ol
CID 145221775
1-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)peroxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 57082175
3,3-dimethoxycyclobutan-1-ol
CID 130945109
3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 141116426
1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
CID 6992729
(3S)-1,5,5-trimethylpiperidin-3-ol
CID 166894829
methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
CID 137347052
3-(aminomethyl)-3-methylcyclobutan-1-ol
CID 115011071
sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate
CID 71677643
5-(methylamino)cyclohexane-1,3-diol
CID 69462878
1,5,5-trimethylcyclohexane-1,3-diol
CID 12684659
N,3,7-trimethyltricyclo[3.3.0.03,7]octan-1-amine
CID 44587971

Frequently Asked Questions

What is the IUPAC name of 3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol?
The IUPAC name of 3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol (CID 163857991) is 3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol.
What is the SMILES notation for 3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol?
The canonical SMILES for 3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol is CNC12CC(O)CC1(NC)CC(O)C2.
What is the InChIKey of 3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol?
The InChIKey is PAAFOXSIAAKSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11-9-3-7(13)5-10(9,12-2)6-8(14)4-9/h7-8,11-14H,3-6H2,1-2H3.
What are the key properties of 3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol?
3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol has a molecular weight of 200.28 g/mol, XLogP of -0.79, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-bis(methylamino)-1,2,3,4,5,6-hexahydropentalene-2,5-diol is sourced from PubChem (CID 163857991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).