8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine

C20H40N2 — CID 90931437

IUPAC8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine
SMILESC=C1C(C)CC(CC)C(C)C(N)C(CNCCC)C(C)C1C
InChIInChI=1S/C20H40N2/c1-8-10-22-12-19-16(6)15(5)14(4)13(3)11-18(9-2)17(7)20(19)21/h13,15-20,22H,4,8-12,21H2,1-3,5-7H3
InChIKeyFYPYCIUDOAPFPL-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.46
Rot. Bonds5

About 8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine

8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine (PubChem CID 90931437) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine.

Molecular Properties

Compound Name8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine
PubChem CID90931437
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine
SMILESC=C1C(C)CC(CC)C(C)C(N)C(CNCCC)C(C)C1C
InChIInChI=1S/C20H40N2/c1-8-10-22-12-19-16(6)15(5)14(4)13(3)11-18(9-2)17(7)20(19)21/h13,15-20,22H,4,8-12,21H2,1-3,5-7H3
InChIKeyFYPYCIUDOAPFPL-UHFFFAOYSA-N
XLogP4.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine?
The IUPAC name of 8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine (CID 90931437) is 8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine.
What is the SMILES notation for 8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine?
The canonical SMILES for 8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine is C=C1C(C)CC(CC)C(C)C(N)C(CNCCC)C(C)C1C.
What is the InChIKey of 8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine?
The InChIKey is FYPYCIUDOAPFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-8-10-22-12-19-16(6)15(5)14(4)13(3)11-18(9-2)17(7)20(19)21/h13,15-20,22H,4,8-12,21H2,1-3,5-7H3.
What are the key properties of 8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine?
8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine has a molecular weight of 308.55 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,4,6,9-tetramethyl-5-methylidene-2-(propylaminomethyl)cyclononan-1-amine is sourced from PubChem (CID 90931437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).