4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol

C15H29NO2 — CID 63712306

IUPAC4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
SMILESCCC1CCC(O)C(N(C)CC2CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-12-4-5-15(17)14(10-12)16(2)11-13-6-8-18-9-7-13/h12-15,17H,3-11H2,1-2H3
InChIKeySIQBZKBGASBWRB-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.28
Rot. Bonds4

About 4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol

4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol (PubChem CID 63712306) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
PubChem CID63712306
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
SMILESCCC1CCC(O)C(N(C)CC2CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-12-4-5-15(17)14(10-12)16(2)11-13-6-8-18-9-7-13/h12-15,17H,3-11H2,1-2H3
InChIKeySIQBZKBGASBWRB-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol (CID 63712306) is 4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol is CCC1CCC(O)C(N(C)CC2CCOCC2)C1.
What is the InChIKey of 4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol?
The InChIKey is SIQBZKBGASBWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-12-4-5-15(17)14(10-12)16(2)11-13-6-8-18-9-7-13/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol?
4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 63712306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).