4-(1-aminoethyl)cyclohex-2-en-1-ol

C8H15NO — CID 163525972

IUPAC4-(1-aminoethyl)cyclohex-2-en-1-ol
SMILESCC(N)C1C=CC(O)CC1
InChIInChI=1S/C8H15NO/c1-6(9)7-2-4-8(10)5-3-7/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyDOUDXIWBUOKODZ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.66
Rot. Bonds1

About 4-(1-aminoethyl)cyclohex-2-en-1-ol

4-(1-aminoethyl)cyclohex-2-en-1-ol (PubChem CID 163525972) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-(1-aminoethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-(1-aminoethyl)cyclohex-2-en-1-ol
PubChem CID163525972
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-(1-aminoethyl)cyclohex-2-en-1-ol
SMILESCC(N)C1C=CC(O)CC1
InChIInChI=1S/C8H15NO/c1-6(9)7-2-4-8(10)5-3-7/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyDOUDXIWBUOKODZ-UHFFFAOYSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)cyclohex-2-en-1-ol?
The IUPAC name of 4-(1-aminoethyl)cyclohex-2-en-1-ol (CID 163525972) is 4-(1-aminoethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-(1-aminoethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 4-(1-aminoethyl)cyclohex-2-en-1-ol is CC(N)C1C=CC(O)CC1.
What is the InChIKey of 4-(1-aminoethyl)cyclohex-2-en-1-ol?
The InChIKey is DOUDXIWBUOKODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(9)7-2-4-8(10)5-3-7/h2,4,6-8,10H,3,5,9H2,1H3.
What are the key properties of 4-(1-aminoethyl)cyclohex-2-en-1-ol?
4-(1-aminoethyl)cyclohex-2-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 163525972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).