(4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol

C9H19NO — CID 126641418

IUPAC(4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol
SMILESCC[C@@H]1CCC(O)CC1NC
InChIInChI=1S/C9H19NO/c1-3-7-4-5-8(11)6-9(7)10-2/h7-11H,3-6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyZXAXGFMXKWFVRQ-AFPNSQJFSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds2

About (4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol

(4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol (PubChem CID 126641418) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name(4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol
PubChem CID126641418
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol
SMILESCC[C@@H]1CCC(O)CC1NC
InChIInChI=1S/C9H19NO/c1-3-7-4-5-8(11)6-9(7)10-2/h7-11H,3-6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyZXAXGFMXKWFVRQ-AFPNSQJFSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol?
The IUPAC name of (4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol (CID 126641418) is (4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for (4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol?
The canonical SMILES for (4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol is CC[C@@H]1CCC(O)CC1NC.
What is the InChIKey of (4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol?
The InChIKey is ZXAXGFMXKWFVRQ-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-7-4-5-8(11)6-9(7)10-2/h7-11H,3-6H2,1-2H3/t7-,8?,9?/m1/s1.
What are the key properties of (4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol?
(4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 126641418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).