6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole

C17H27N — CID 143293119

IUPAC6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole
SMILESCCC1(C)C=CC2=C(C=C1)C(C)(C)N(C)C2(C)C
InChIInChI=1S/C17H27N/c1-8-17(6)11-9-13-14(10-12-17)16(4,5)18(7)15(13,2)3/h9-12H,8H2,1-7H3
InChIKeyYFQQAQFZBKZMJX-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.33
Rot. Bonds1

About 6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole

6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole (PubChem CID 143293119) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole.

Molecular Properties

Compound Name6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole
PubChem CID143293119
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole
SMILESCCC1(C)C=CC2=C(C=C1)C(C)(C)N(C)C2(C)C
InChIInChI=1S/C17H27N/c1-8-17(6)11-9-13-14(10-12-17)16(4,5)18(7)15(13,2)3/h9-12H,8H2,1-7H3
InChIKeyYFQQAQFZBKZMJX-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Ditert-butyl-1-propyl-2,7-dihydroazepine
CID 23552359
1-tert-butyl-5-ethenyl-4-[(E)-2,3,3-trimethylbut-1-enyl]-3,6-dihydro-2H-pyridine
CID 138661070
Ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole
CID 143293118
Ethane;1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole;propane
CID 143495174
2-Tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole
CID 143926455
(4Z)-N-(3,3-dimethylbutyl)-N,2,6,7-tetramethyl-3-methylideneocta-4,6-dien-2-amine
CID 155001490
1,6-Dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane
CID 156794155
(4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine
CID 166985462
1,1,2,3,3,6,6-Heptamethylcyclohepta[c]pyrrole
CID 143495175

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole?
The IUPAC name of 6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole (CID 143293119) is 6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole.
What is the SMILES notation for 6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole?
The canonical SMILES for 6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole is CCC1(C)C=CC2=C(C=C1)C(C)(C)N(C)C2(C)C.
What is the InChIKey of 6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole?
The InChIKey is YFQQAQFZBKZMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-8-17(6)11-9-13-14(10-12-17)16(4,5)18(7)15(13,2)3/h9-12H,8H2,1-7H3.
What are the key properties of 6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole?
6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole has a molecular weight of 245.41 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole is sourced from PubChem (CID 143293119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).