4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine

C23H39N — CID 171726498

IUPAC4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine
SMILESCCC1=C(N2CC(C)(C3CCCCC3)CC2(C)C)[C@H](CC)CC=C1
InChIInChI=1S/C23H39N/c1-6-18-12-11-13-19(7-2)21(18)24-17-23(5,16-22(24,3)4)20-14-9-8-10-15-20/h11-12,19-20H,6-10,13-17H2,1-5H3/t19-,23?/m1/s1
InChIKeyVEHHSYBQOAXPMP-HWYAHNCWSA-N
MW329.57 g/mol
LogP6.71
Rot. Bonds4

About 4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine

4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine (PubChem CID 171726498) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is 4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine.

Molecular Properties

Compound Name4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine
PubChem CID171726498
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Name4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine
SMILESCCC1=C(N2CC(C)(C3CCCCC3)CC2(C)C)[C@H](CC)CC=C1
InChIInChI=1S/C23H39N/c1-6-18-12-11-13-19(7-2)21(18)24-17-23(5,16-22(24,3)4)20-14-9-8-10-15-20/h11-12,19-20H,6-10,13-17H2,1-5H3/t19-,23?/m1/s1
InChIKeyVEHHSYBQOAXPMP-HWYAHNCWSA-N
XLogP6.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine?
The IUPAC name of 4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine (CID 171726498) is 4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine.
What is the SMILES notation for 4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine?
The canonical SMILES for 4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine is CCC1=C(N2CC(C)(C3CCCCC3)CC2(C)C)[C@H](CC)CC=C1.
What is the InChIKey of 4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine?
The InChIKey is VEHHSYBQOAXPMP-HWYAHNCWSA-N. The full InChI is InChI=1S/C23H39N/c1-6-18-12-11-13-19(7-2)21(18)24-17-23(5,16-22(24,3)4)20-14-9-8-10-15-20/h11-12,19-20H,6-10,13-17H2,1-5H3/t19-,23?/m1/s1.
What are the key properties of 4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine?
4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine has a molecular weight of 329.57 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-[(6R)-2,6-diethylcyclohexa-1,3-dien-1-yl]-2,2,4-trimethylpyrrolidine is sourced from PubChem (CID 171726498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).