1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine

C20H35N — CID 71218420

IUPAC1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine
SMILESCC(C)C1=CCC(C(C)(C)CC(C)(C)N2CCCC2)C=C1
InChIInChI=1S/C20H35N/c1-16(2)17-9-11-18(12-10-17)19(3,4)15-20(5,6)21-13-7-8-14-21/h9-11,16,18H,7-8,12-15H2,1-6H3
InChIKeyVKZOYDGFRCRVQG-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.44
Rot. Bonds5

About 1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine

1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine (PubChem CID 71218420) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine
PubChem CID71218420
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine
SMILESCC(C)C1=CCC(C(C)(C)CC(C)(C)N2CCCC2)C=C1
InChIInChI=1S/C20H35N/c1-16(2)17-9-11-18(12-10-17)19(3,4)15-20(5,6)21-13-7-8-14-21/h9-11,16,18H,7-8,12-15H2,1-6H3
InChIKeyVKZOYDGFRCRVQG-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine?
The IUPAC name of 1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine (CID 71218420) is 1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine.
What is the SMILES notation for 1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine?
The canonical SMILES for 1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine is CC(C)C1=CCC(C(C)(C)CC(C)(C)N2CCCC2)C=C1.
What is the InChIKey of 1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine?
The InChIKey is VKZOYDGFRCRVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-16(2)17-9-11-18(12-10-17)19(3,4)15-20(5,6)21-13-7-8-14-21/h9-11,16,18H,7-8,12-15H2,1-6H3.
What are the key properties of 1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine?
1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine has a molecular weight of 289.51 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine is sourced from PubChem (CID 71218420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).