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

C12H26N2O2 — CID 23263750

IUPAC2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol
SMILESCCN(CC)C1C(O)CCC(N(C)C)C1O
InChIInChI=1S/C12H26N2O2/c1-5-14(6-2)11-10(15)8-7-9(12(11)16)13(3)4/h9-12,15-16H,5-8H2,1-4H3
InChIKeyWQVBGOZQSZXKIC-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.14
Rot. Bonds4

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

2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol (PubChem CID 23263750) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol.

Molecular Properties

Compound Name2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol
PubChem CID23263750
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol
SMILESCCN(CC)C1C(O)CCC(N(C)C)C1O
InChIInChI=1S/C12H26N2O2/c1-5-14(6-2)11-10(15)8-7-9(12(11)16)13(3)4/h9-12,15-16H,5-8H2,1-4H3
InChIKeyWQVBGOZQSZXKIC-UHFFFAOYSA-N
XLogP0.14
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol?
The IUPAC name of 2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol (CID 23263750) is 2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol.
What is the SMILES notation for 2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol?
The canonical SMILES for 2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol is CCN(CC)C1C(O)CCC(N(C)C)C1O.
What is the InChIKey of 2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol?
The InChIKey is WQVBGOZQSZXKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-14(6-2)11-10(15)8-7-9(12(11)16)13(3)4/h9-12,15-16H,5-8H2,1-4H3.
What are the key properties of 2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol?
2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol has a molecular weight of 230.35 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-(dimethylamino)cyclohexane-1,3-diol is sourced from PubChem (CID 23263750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).