4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole

C18H28N2 — CID 86233578

IUPAC4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole
SMILESCc1c[nH]c(-c2[nH]cc(C)c2CC(C)C)c1CC(C)C
InChIInChI=1S/C18H28N2/c1-11(2)7-15-13(5)9-19-17(15)18-16(8-12(3)4)14(6)10-20-18/h9-12,19-20H,7-8H2,1-6H3
InChIKeyMOUHLGOQVRMJHX-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.02
Rot. Bonds5

About 4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole

4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole (PubChem CID 86233578) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole.

Molecular Properties

Compound Name4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole
PubChem CID86233578
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole
SMILESCc1c[nH]c(-c2[nH]cc(C)c2CC(C)C)c1CC(C)C
InChIInChI=1S/C18H28N2/c1-11(2)7-15-13(5)9-19-17(15)18-16(8-12(3)4)14(6)10-20-18/h9-12,19-20H,7-8H2,1-6H3
InChIKeyMOUHLGOQVRMJHX-UHFFFAOYSA-N
XLogP5.02
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole
CID 102186147
1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene
CID 159624345
1,3-diiodo-2-(2-methylpropyl)benzene
CID 59615643
4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one
CID 163379410
3-(bromomethyl)-2,4-dimethyl-1H-pyrrole
CID 119093345
3-methyl-2-(2-methylpropyl)aniline
CID 21420803
5-(2-methylpropyl)-3H-1,3-thiazol-2-one
CID 123486048
3-ethyl-4-methyl-1H-pyrrol-2-ol
CID 45092467
5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 63210575
5-(1H-imidazol-5-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 165499967
3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 129287122
2-fluoro-4-methyl-3-(2-methylpropyl)phenol
CID 130177584

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole?
The IUPAC name of 4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole (CID 86233578) is 4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole.
What is the SMILES notation for 4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole?
The canonical SMILES for 4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole is Cc1c[nH]c(-c2[nH]cc(C)c2CC(C)C)c1CC(C)C.
What is the InChIKey of 4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole?
The InChIKey is MOUHLGOQVRMJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-11(2)7-15-13(5)9-19-17(15)18-16(8-12(3)4)14(6)10-20-18/h9-12,19-20H,7-8H2,1-6H3.
What are the key properties of 4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole?
4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole has a molecular weight of 272.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole is sourced from PubChem (CID 86233578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).