4-[2-(methylamino)ethyl]cyclohexan-1-ol

C9H19NO — CID 3048673

IUPAC4-[2-(methylamino)ethyl]cyclohexan-1-ol
SMILESCNCCC1CCC(O)CC1
InChIInChI=1S/C9H19NO/c1-10-7-6-8-2-4-9(11)5-3-8/h8-11H,2-7H2,1H3
InChIKeyWCPJVPPCOMEVQR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds3

About 4-[2-(methylamino)ethyl]cyclohexan-1-ol

4-[2-(methylamino)ethyl]cyclohexan-1-ol (PubChem CID 3048673) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]cyclohexan-1-ol
PubChem CID3048673
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-[2-(methylamino)ethyl]cyclohexan-1-ol
SMILESCNCCC1CCC(O)CC1
InChIInChI=1S/C9H19NO/c1-10-7-6-8-2-4-9(11)5-3-8/h8-11H,2-7H2,1H3
InChIKeyWCPJVPPCOMEVQR-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 4-[2-(methylamino)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(methylamino)ethyl]cyclohexan-1-ol (CID 3048673) is 4-[2-(methylamino)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(methylamino)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(methylamino)ethyl]cyclohexan-1-ol is CNCCC1CCC(O)CC1.
What is the InChIKey of 4-[2-(methylamino)ethyl]cyclohexan-1-ol?
The InChIKey is WCPJVPPCOMEVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-10-7-6-8-2-4-9(11)5-3-8/h8-11H,2-7H2,1H3.
What are the key properties of 4-[2-(methylamino)ethyl]cyclohexan-1-ol?
4-[2-(methylamino)ethyl]cyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 3048673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).