3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol

C10H19NO — CID 123756737

IUPAC3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)C1CCC(CN)=CC1O
InChIInChI=1S/C10H19NO/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5,7,9-10,12H,3-4,6,11H2,1-2H3
InChIKeyVMFFCGLMVYALJT-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.30
Rot. Bonds2

About 3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol

3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 123756737) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol
PubChem CID123756737
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol
SMILESCC(C)C1CCC(CN)=CC1O
InChIInChI=1S/C10H19NO/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5,7,9-10,12H,3-4,6,11H2,1-2H3
InChIKeyVMFFCGLMVYALJT-UHFFFAOYSA-N
XLogP1.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.30
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 3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol (CID 123756737) is 3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol is CC(C)C1CCC(CN)=CC1O.
What is the InChIKey of 3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is VMFFCGLMVYALJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5,7,9-10,12H,3-4,6,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol?
3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 123756737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).