2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole

C17H27N — CID 143926455

IUPAC2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole
SMILESCC(C)C1(C)C=CC2=C(C=C1)CN(C(C)(C)C)C2
InChIInChI=1S/C17H27N/c1-13(2)17(6)9-7-14-11-18(16(3,4)5)12-15(14)8-10-17/h7-10,13H,11-12H2,1-6H3
InChIKeyBCTQKPRPMUHCBY-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.19
Rot. Bonds1

About 2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole

2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole (PubChem CID 143926455) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole
PubChem CID143926455
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole
SMILESCC(C)C1(C)C=CC2=C(C=C1)CN(C(C)(C)C)C2
InChIInChI=1S/C17H27N/c1-13(2)17(6)9-7-14-11-18(16(3,4)5)12-15(14)8-10-17/h7-10,13H,11-12H2,1-6H3
InChIKeyBCTQKPRPMUHCBY-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Tert-butyl-6-(3,5-dimethylhexan-3-yl)-6-methyl-1,3-dihydrocyclohepta[c]pyrrole
CID 90805278
2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine
CID 142990502
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
1,6-Dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane
CID 156794155
5-tert-butyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethyl-5-methyl-2-[(Z)-prop-1-enyl]cyclohepta[b]pyrrole
CID 166788161
N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-N,4-dimethylpent-3-en-1-amine
CID 100947997
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
1,6-Dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole
CID 156794156

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole?
The IUPAC name of 2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole (CID 143926455) is 2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole.
What is the SMILES notation for 2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole?
The canonical SMILES for 2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole is CC(C)C1(C)C=CC2=C(C=C1)CN(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole?
The InChIKey is BCTQKPRPMUHCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)17(6)9-7-14-11-18(16(3,4)5)12-15(14)8-10-17/h7-10,13H,11-12H2,1-6H3.
What are the key properties of 2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole?
2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole has a molecular weight of 245.41 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-6-propan-2-yl-1,3-dihydrocyclohepta[c]pyrrole is sourced from PubChem (CID 143926455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).