4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine

C20H29N — CID 71234821

IUPAC4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine
SMILESCC1C(C2(C)CC=CCC2)=C(N)CCC1C1=CC=CCC1
InChIInChI=1S/C20H29N/c1-15-17(16-9-5-3-6-10-16)11-12-18(21)19(15)20(2)13-7-4-8-14-20/h3-5,7,9,15,17H,6,8,10-14,21H2,1-2H3
InChIKeyFNVMENNZEQCNMX-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.27
Rot. Bonds2

About 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine

4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine (PubChem CID 71234821) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine
PubChem CID71234821
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine
SMILESCC1C(C2(C)CC=CCC2)=C(N)CCC1C1=CC=CCC1
InChIInChI=1S/C20H29N/c1-15-17(16-9-5-3-6-10-16)11-12-18(21)19(15)20(2)13-7-4-8-14-20/h3-5,7,9,15,17H,6,8,10-14,21H2,1-2H3
InChIKeyFNVMENNZEQCNMX-UHFFFAOYSA-N
XLogP5.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.27
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 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine (CID 71234821) is 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine is CC1C(C2(C)CC=CCC2)=C(N)CCC1C1=CC=CCC1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine?
The InChIKey is FNVMENNZEQCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-15-17(16-9-5-3-6-10-16)11-12-18(21)19(15)20(2)13-7-4-8-14-20/h3-5,7,9,15,17H,6,8,10-14,21H2,1-2H3.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine?
4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine has a molecular weight of 283.46 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine is sourced from PubChem (CID 71234821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).