2-amino-4-ethylcyclohexan-1-ol

C8H17NO — CID 20531916

IUPAC2-amino-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N)C1
InChIInChI=1S/C8H17NO/c1-2-6-3-4-8(10)7(9)5-6/h6-8,10H,2-5,9H2,1H3
InChIKeyVKPCUACEKVIWPN-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds1

About 2-amino-4-ethylcyclohexan-1-ol

2-amino-4-ethylcyclohexan-1-ol (PubChem CID 20531916) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-amino-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-4-ethylcyclohexan-1-ol
PubChem CID20531916
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-amino-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N)C1
InChIInChI=1S/C8H17NO/c1-2-6-3-4-8(10)7(9)5-6/h6-8,10H,2-5,9H2,1H3
InChIKeyVKPCUACEKVIWPN-UHFFFAOYSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-amino-4-ethylcyclohexan-1-ol (CID 20531916) is 2-amino-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-amino-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-amino-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(N)C1.
What is the InChIKey of 2-amino-4-ethylcyclohexan-1-ol?
The InChIKey is VKPCUACEKVIWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-6-3-4-8(10)7(9)5-6/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 2-amino-4-ethylcyclohexan-1-ol?
2-amino-4-ethylcyclohexan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 20531916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).