2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine

C10H19NO — CID 174265551

IUPAC2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine
SMILESCOC1C=CCC(C(C)C)C1N
InChIInChI=1S/C10H19NO/c1-7(2)8-5-4-6-9(12-3)10(8)11/h4,6-10H,5,11H2,1-3H3
InChIKeyNLBRXGMFMSSEPN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds2

About 2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine

2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine (PubChem CID 174265551) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine
PubChem CID174265551
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine
SMILESCOC1C=CCC(C(C)C)C1N
InChIInChI=1S/C10H19NO/c1-7(2)8-5-4-6-9(12-3)10(8)11/h4,6-10H,5,11H2,1-3H3
InChIKeyNLBRXGMFMSSEPN-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
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 2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine?
The IUPAC name of 2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine (CID 174265551) is 2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine.
What is the SMILES notation for 2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine?
The canonical SMILES for 2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine is COC1C=CCC(C(C)C)C1N.
What is the InChIKey of 2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine?
The InChIKey is NLBRXGMFMSSEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)8-5-4-6-9(12-3)10(8)11/h4,6-10H,5,11H2,1-3H3.
What are the key properties of 2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine?
2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-propan-2-ylcyclohex-3-en-1-amine is sourced from PubChem (CID 174265551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).