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

C19H33N — CID 143293118

IUPACethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole
SMILESCC.CCC1(C)C=CC2=C(C=C1)C(C)(C)N(C)C2(C)C
InChIInChI=1S/C17H27N.C2H6/c1-8-17(6)11-9-13-14(10-12-17)16(4,5)18(7)15(13,2)3;1-2/h9-12H,8H2,1-7H3;1-2H3
InChIKeyYUGZVVMXJOFRGD-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.35
Rot. Bonds1

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

ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole (PubChem CID 143293118) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole.

Molecular Properties

Compound Nameethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole
PubChem CID143293118
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Nameethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole
SMILESCC.CCC1(C)C=CC2=C(C=C1)C(C)(C)N(C)C2(C)C
InChIInChI=1S/C17H27N.C2H6/c1-8-17(6)11-9-13-14(10-12-17)16(4,5)18(7)15(13,2)3;1-2/h9-12H,8H2,1-7H3;1-2H3
InChIKeyYUGZVVMXJOFRGD-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Butyl-3,4-ditert-butyl-2,7-dihydroazepine
CID 20871973
2-Tert-butyl-6-(3,5-dimethylhexan-3-yl)-6-methyl-1,3-dihydrocyclohepta[c]pyrrole
CID 90805278
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
(4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine
CID 166985462
(4Z)-N-[(7,7-dimethylcyclohepta-1,5-dien-1-yl)methyl]-N,3,3-trimethylhepta-4,6-dien-1-amine
CID 174285177
6-Ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole
CID 143293119
1,1,2,3,3,6,6-Heptamethylcyclohepta[c]pyrrole
CID 143495175

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole?
The IUPAC name of ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole (CID 143293118) is ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole.
What is the SMILES notation for ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole?
The canonical SMILES for ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole is CC.CCC1(C)C=CC2=C(C=C1)C(C)(C)N(C)C2(C)C.
What is the InChIKey of ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole?
The InChIKey is YUGZVVMXJOFRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C2H6/c1-8-17(6)11-9-13-14(10-12-17)16(4,5)18(7)15(13,2)3;1-2/h9-12H,8H2,1-7H3;1-2H3.
What are the key properties of ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole?
ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole has a molecular weight of 275.48 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-1,1,2,3,3,6-hexamethylcyclohepta[c]pyrrole is sourced from PubChem (CID 143293118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).