3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine

C17H27N — CID 129208709

IUPAC3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine
SMILESC=C1N(CCC2=CC=C(C)CC2)C(C)CC1(C)C
InChIInChI=1S/C17H27N/c1-13-6-8-16(9-7-13)10-11-18-14(2)12-17(4,5)15(18)3/h6,8,14H,3,7,9-12H2,1-2,4-5H3
InChIKeyVVIUITSKKABAAS-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.68
Rot. Bonds3

About 3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine

3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine (PubChem CID 129208709) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine.

Molecular Properties

Compound Name3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine
PubChem CID129208709
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine
SMILESC=C1N(CCC2=CC=C(C)CC2)C(C)CC1(C)C
InChIInChI=1S/C17H27N/c1-13-6-8-16(9-7-13)10-11-18-14(2)12-17(4,5)15(18)3/h6,8,14H,3,7,9-12H2,1-2,4-5H3
InChIKeyVVIUITSKKABAAS-UHFFFAOYSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine?
The IUPAC name of 3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine (CID 129208709) is 3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine.
What is the SMILES notation for 3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine?
The canonical SMILES for 3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine is C=C1N(CCC2=CC=C(C)CC2)C(C)CC1(C)C.
What is the InChIKey of 3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine?
The InChIKey is VVIUITSKKABAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-6-8-16(9-7-13)10-11-18-14(2)12-17(4,5)15(18)3/h6,8,14H,3,7,9-12H2,1-2,4-5H3.
What are the key properties of 3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine?
3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine has a molecular weight of 245.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-2-methylidenepyrrolidine is sourced from PubChem (CID 129208709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).