1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole

C16H23N — CID 91131930

IUPAC1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole
SMILESCC1=NCC2=CC=CCCC(CCC(C)C)=C21
InChIInChI=1S/C16H23N/c1-12(2)9-10-14-7-5-4-6-8-15-11-17-13(3)16(14)15/h4,6,8,12H,5,7,9-11H2,1-3H3
InChIKeyFFFKDMQXZHZJMZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.47
Rot. Bonds3

About 1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole

1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole (PubChem CID 91131930) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole.

Molecular Properties

Compound Name1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole
PubChem CID91131930
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole
SMILESCC1=NCC2=CC=CCCC(CCC(C)C)=C21
InChIInChI=1S/C16H23N/c1-12(2)9-10-14-7-5-4-6-8-15-11-17-13(3)16(14)15/h4,6,8,12H,5,7,9-11H2,1-3H3
InChIKeyFFFKDMQXZHZJMZ-UHFFFAOYSA-N
XLogP4.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 6445873
CID 6445873
Lanopylin A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
5-ethenyl-3-[3-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)propyl]-2H-pyrrole
CID 134390099
(2S)-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-5-propan-2-yl-3,4-dihydro-2H-pyrrole
CID 167026133
(2S)-5-cyclopropyl-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-3,4-dihydro-2H-pyrrole
CID 167026383
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole?
The IUPAC name of 1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole (CID 91131930) is 1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole.
What is the SMILES notation for 1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole?
The canonical SMILES for 1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole is CC1=NCC2=CC=CCCC(CCC(C)C)=C21.
What is the InChIKey of 1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole?
The InChIKey is FFFKDMQXZHZJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12(2)9-10-14-7-5-4-6-8-15-11-17-13(3)16(14)15/h4,6,8,12H,5,7,9-11H2,1-3H3.
What are the key properties of 1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole?
1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole has a molecular weight of 229.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(3-methylbutyl)-7,8-dihydro-3H-cycloocta[c]pyrrole is sourced from PubChem (CID 91131930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).