3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine

C20H33N — CID 126516019

IUPAC3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine
SMILESC=C1CC(CC)CC(NC(=C)C2CC(=C)CC(CC)C2)C1
InChIInChI=1S/C20H33N/c1-6-17-8-14(3)10-19(12-17)16(5)21-20-11-15(4)9-18(7-2)13-20/h17-21H,3-13H2,1-2H3
InChIKeyYEGLPWKPZGDQTO-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.61
Rot. Bonds5

About 3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine

3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine (PubChem CID 126516019) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine
PubChem CID126516019
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine
SMILESC=C1CC(CC)CC(NC(=C)C2CC(=C)CC(CC)C2)C1
InChIInChI=1S/C20H33N/c1-6-17-8-14(3)10-19(12-17)16(5)21-20-11-15(4)9-18(7-2)13-20/h17-21H,3-13H2,1-2H3
InChIKeyYEGLPWKPZGDQTO-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[1-(3-methyl-5-methylidenecyclohexyl)ethyl]butan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine (CID 126516019) is 3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine is C=C1CC(CC)CC(NC(=C)C2CC(=C)CC(CC)C2)C1.
What is the InChIKey of 3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine?
The InChIKey is YEGLPWKPZGDQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-17-8-14(3)10-19(12-17)16(5)21-20-11-15(4)9-18(7-2)13-20/h17-21H,3-13H2,1-2H3.
What are the key properties of 3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine?
3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(3-ethyl-5-methylidenecyclohexyl)ethenyl]-5-methylidenecyclohexan-1-amine is sourced from PubChem (CID 126516019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).