cyclohexanamine;ethanol;molecular hydrogen

C8H21NO — CID 143818374

IUPACcyclohexanamine;ethanol;molecular hydrogen
SMILESCCO.NC1CCCCC1.[H][H]
InChIInChI=1S/C6H13N.C2H6O.H2/c7-6-4-2-1-3-5-6;1-2-3;/h6H,1-5,7H2;3H,2H2,1H3;1H
InChIKeyKXFRYZMRHKSZIT-UHFFFAOYSA-N
MW147.26 g/mol
LogP1.52
Rot. Bonds

About cyclohexanamine;ethanol;molecular hydrogen

cyclohexanamine;ethanol;molecular hydrogen (PubChem CID 143818374) has the molecular formula C8H21NO and a molecular weight of 147.26 g/mol. Its IUPAC name is cyclohexanamine;ethanol;molecular hydrogen.

Molecular Properties

Compound Namecyclohexanamine;ethanol;molecular hydrogen
PubChem CID143818374
Molecular FormulaC8H21NO
Molecular Weight147.26 g/mol
Exact Mass147.16
IUPAC Namecyclohexanamine;ethanol;molecular hydrogen
SMILESCCO.NC1CCCCC1.[H][H]
InChIInChI=1S/C6H13N.C2H6O.H2/c7-6-4-2-1-3-5-6;1-2-3;/h6H,1-5,7H2;3H,2H2,1H3;1H
InChIKeyKXFRYZMRHKSZIT-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;ethanol;molecular hydrogen?
The IUPAC name of cyclohexanamine;ethanol;molecular hydrogen (CID 143818374) is cyclohexanamine;ethanol;molecular hydrogen.
What is the SMILES notation for cyclohexanamine;ethanol;molecular hydrogen?
The canonical SMILES for cyclohexanamine;ethanol;molecular hydrogen is CCO.NC1CCCCC1.[H][H].
What is the InChIKey of cyclohexanamine;ethanol;molecular hydrogen?
The InChIKey is KXFRYZMRHKSZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H6O.H2/c7-6-4-2-1-3-5-6;1-2-3;/h6H,1-5,7H2;3H,2H2,1H3;1H.
What are the key properties of cyclohexanamine;ethanol;molecular hydrogen?
cyclohexanamine;ethanol;molecular hydrogen has a molecular weight of 147.26 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;ethanol;molecular hydrogen is sourced from PubChem (CID 143818374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).