1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine

C18H33N — CID 122679843

IUPAC1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine
SMILESC=C1CCCN1C1CCC(C(C)C)(C(C)(C)C)CC1
InChIInChI=1S/C18H33N/c1-14(2)18(17(4,5)6)11-9-16(10-12-18)19-13-7-8-15(19)3/h14,16H,3,7-13H2,1-2,4-6H3
InChIKeyDJNQLVBAXUVNHX-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.23
Rot. Bonds2

About 1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine

1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine (PubChem CID 122679843) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine.

Molecular Properties

Compound Name1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine
PubChem CID122679843
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine
SMILESC=C1CCCN1C1CCC(C(C)C)(C(C)(C)C)CC1
InChIInChI=1S/C18H33N/c1-14(2)18(17(4,5)6)11-9-16(10-12-18)19-13-7-8-15(19)3/h14,16H,3,7-13H2,1-2,4-6H3
InChIKeyDJNQLVBAXUVNHX-UHFFFAOYSA-N
XLogP5.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine?
The IUPAC name of 1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine (CID 122679843) is 1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine.
What is the SMILES notation for 1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine?
The canonical SMILES for 1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine is C=C1CCCN1C1CCC(C(C)C)(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine?
The InChIKey is DJNQLVBAXUVNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-14(2)18(17(4,5)6)11-9-16(10-12-18)19-13-7-8-15(19)3/h14,16H,3,7-13H2,1-2,4-6H3.
What are the key properties of 1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine?
1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine has a molecular weight of 263.47 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine is sourced from PubChem (CID 122679843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).