2,4-bis(dimethylamino)cyclohexane-1,3-diol

C10H22N2O2 — CID 12732268

IUPAC2,4-bis(dimethylamino)cyclohexane-1,3-diol
SMILESCN(C)C1CCC(O)C(N(C)C)C1O
InChIInChI=1S/C10H22N2O2/c1-11(2)7-5-6-8(13)9(10(7)14)12(3)4/h7-10,13-14H,5-6H2,1-4H3
InChIKeyDZNXIKDDPMNKAT-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.64
Rot. Bonds2

About 2,4-bis(dimethylamino)cyclohexane-1,3-diol

2,4-bis(dimethylamino)cyclohexane-1,3-diol (PubChem CID 12732268) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,4-bis(dimethylamino)cyclohexane-1,3-diol.

Molecular Properties

Compound Name2,4-bis(dimethylamino)cyclohexane-1,3-diol
PubChem CID12732268
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2,4-bis(dimethylamino)cyclohexane-1,3-diol
SMILESCN(C)C1CCC(O)C(N(C)C)C1O
InChIInChI=1S/C10H22N2O2/c1-11(2)7-5-6-8(13)9(10(7)14)12(3)4/h7-10,13-14H,5-6H2,1-4H3
InChIKeyDZNXIKDDPMNKAT-UHFFFAOYSA-N
XLogP-0.64
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(dimethylamino)cyclohexane-1,3-diol?
The IUPAC name of 2,4-bis(dimethylamino)cyclohexane-1,3-diol (CID 12732268) is 2,4-bis(dimethylamino)cyclohexane-1,3-diol.
What is the SMILES notation for 2,4-bis(dimethylamino)cyclohexane-1,3-diol?
The canonical SMILES for 2,4-bis(dimethylamino)cyclohexane-1,3-diol is CN(C)C1CCC(O)C(N(C)C)C1O.
What is the InChIKey of 2,4-bis(dimethylamino)cyclohexane-1,3-diol?
The InChIKey is DZNXIKDDPMNKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-11(2)7-5-6-8(13)9(10(7)14)12(3)4/h7-10,13-14H,5-6H2,1-4H3.
What are the key properties of 2,4-bis(dimethylamino)cyclohexane-1,3-diol?
2,4-bis(dimethylamino)cyclohexane-1,3-diol has a molecular weight of 202.30 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(dimethylamino)cyclohexane-1,3-diol is sourced from PubChem (CID 12732268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).