1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole

C16H25N — CID 143495175

IUPAC1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole
SMILESCN1C(C)(C)C2=C(C=CC(C)(C)C=C2)C1(C)C
InChIInChI=1S/C16H25N/c1-14(2)10-8-12-13(9-11-14)16(5,6)17(7)15(12,3)4/h8-11H,1-7H3
InChIKeyOEXJMDZXKYZGFD-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.94
Rot. Bonds

About 1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole

1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole (PubChem CID 143495175) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole.

Molecular Properties

Compound Name1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole
PubChem CID143495175
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole
SMILESCN1C(C)(C)C2=C(C=CC(C)(C)C=C2)C1(C)C
InChIInChI=1S/C16H25N/c1-14(2)10-8-12-13(9-11-14)16(5,6)17(7)15(12,3)4/h8-11H,1-7H3
InChIKeyOEXJMDZXKYZGFD-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,6,6-Trimethyl-2,3-dihydrocyclohepta[b]pyrrole
CID 141991458
2,6,6-Trimethyl-1,3-dihydrocyclohepta[c]pyrrole
CID 142096934
Ethane;2,6,6-trimethyl-1,3-dihydrocyclohepta[c]pyrrole
CID 142299448
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
2-[(1Z)-buta-1,3-dienyl]-1,3,5,5-tetramethylcyclohepta[b]pyrrole;ethane
CID 144085368
8,9-Bis(ethenyl)-2-methyl-2-azatricyclo[8.3.0.03,7]trideca-1(10),3(7),4,5,8,11-hexaene;ethane;propane
CID 144241655
N-butan-2-yl-N,3,8,8-tetramethylheptalen-3-amine
CID 154961780
(4Z,6Z)-N-tert-butyl-N,2,6-trimethyl-3-methylideneocta-4,6-dien-2-amine
CID 166985462
6-Ethenyl-2-[(5-ethenyl-5-methylcyclohepta-1,3,6-trien-1-yl)methyl]-2,6-dimethyl-1,3-dihydrocyclohepta[c]pyrrol-2-ium
CID 174297641
2,5-bis[(1Z)-buta-1,3-dienyl]-N,N,1,3,4-pentamethylcyclopenta-2,4-dien-1-amine
CID 174327281

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole?
The IUPAC name of 1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole (CID 143495175) is 1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole.
What is the SMILES notation for 1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole?
The canonical SMILES for 1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole is CN1C(C)(C)C2=C(C=CC(C)(C)C=C2)C1(C)C.
What is the InChIKey of 1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole?
The InChIKey is OEXJMDZXKYZGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-14(2)10-8-12-13(9-11-14)16(5,6)17(7)15(12,3)4/h8-11H,1-7H3.
What are the key properties of 1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole?
1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole has a molecular weight of 231.38 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,6,6-heptamethylcyclohepta[c]pyrrole is sourced from PubChem (CID 143495175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).