1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine

C23H45N — CID 122485487

IUPAC1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine
SMILESC=C(CC1CCN(C)C1)CC(C)(C)C(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C23H45N/c1-18(14-19-12-13-24(11)16-19)15-21(5,6)23(9,10)17-22(7,8)20(2,3)4/h19H,1,12-17H2,2-11H3
InChIKeyMROUHOIDFCPZOV-UHFFFAOYSA-N
MW335.62 g/mol
LogP6.79
Rot. Bonds7

About 1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine

1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine (PubChem CID 122485487) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is 1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine
PubChem CID122485487
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC Name1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine
SMILESC=C(CC1CCN(C)C1)CC(C)(C)C(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C23H45N/c1-18(14-19-12-13-24(11)16-19)15-21(5,6)23(9,10)17-22(7,8)20(2,3)4/h19H,1,12-17H2,2-11H3
InChIKeyMROUHOIDFCPZOV-UHFFFAOYSA-N
XLogP6.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 56.79
H-Bond Donors ≤ 50
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 1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine?
The IUPAC name of 1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine (CID 122485487) is 1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine?
The canonical SMILES for 1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine is C=C(CC1CCN(C)C1)CC(C)(C)C(C)(C)CC(C)(C)C(C)(C)C.
What is the InChIKey of 1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine?
The InChIKey is MROUHOIDFCPZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N/c1-18(14-19-12-13-24(11)16-19)15-21(5,6)23(9,10)17-22(7,8)20(2,3)4/h19H,1,12-17H2,2-11H3.
What are the key properties of 1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine?
1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine has a molecular weight of 335.62 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine is sourced from PubChem (CID 122485487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).