6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine

C20H33N — CID 71235729

IUPAC6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine
SMILESCC1(C2CC(C3(C)CCCCC3)C=CC2N)C=CCCC1
InChIInChI=1S/C20H33N/c1-19(11-5-3-6-12-19)16-9-10-18(21)17(15-16)20(2)13-7-4-8-14-20/h7,9-10,13,16-18H,3-6,8,11-12,14-15,21H2,1-2H3
InChIKeyWKVZIARVIFCHKK-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.22
Rot. Bonds2

About 6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine

6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine (PubChem CID 71235729) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine
PubChem CID71235729
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine
SMILESCC1(C2CC(C3(C)CCCCC3)C=CC2N)C=CCCC1
InChIInChI=1S/C20H33N/c1-19(11-5-3-6-12-19)16-9-10-18(21)17(15-16)20(2)13-7-4-8-14-20/h7,9-10,13,16-18H,3-6,8,11-12,14-15,21H2,1-2H3
InChIKeyWKVZIARVIFCHKK-UHFFFAOYSA-N
XLogP5.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine?
The IUPAC name of 6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine (CID 71235729) is 6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine?
The canonical SMILES for 6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine is CC1(C2CC(C3(C)CCCCC3)C=CC2N)C=CCCC1.
What is the InChIKey of 6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine?
The InChIKey is WKVZIARVIFCHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-19(11-5-3-6-12-19)16-9-10-18(21)17(15-16)20(2)13-7-4-8-14-20/h7,9-10,13,16-18H,3-6,8,11-12,14-15,21H2,1-2H3.
What are the key properties of 6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine?
6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylcyclohex-2-en-1-yl)-4-(1-methylcyclohexyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 71235729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).