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

C24H40N2 — CID 102186147

IUPAC2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole
SMILESCC(C)Cc1c[nH]c(-c2[nH]cc(CC(C)C)c2CC(C)C)c1CC(C)C
InChIInChI=1S/C24H40N2/c1-15(2)9-19-13-25-23(21(19)11-17(5)6)24-22(12-18(7)8)20(14-26-24)10-16(3)4/h13-18,25-26H,9-12H2,1-8H3
InChIKeyDRXDRWLTUHXUDJ-UHFFFAOYSA-N
MW356.60 g/mol
LogP6.80
Rot. Bonds9

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

2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole (PubChem CID 102186147) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole.

Molecular Properties

Compound Name2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole
PubChem CID102186147
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole
SMILESCC(C)Cc1c[nH]c(-c2[nH]cc(CC(C)C)c2CC(C)C)c1CC(C)C
InChIInChI=1S/C24H40N2/c1-15(2)9-19-13-25-23(21(19)11-17(5)6)24-22(12-18(7)8)20(14-26-24)10-16(3)4/h13-18,25-26H,9-12H2,1-8H3
InChIKeyDRXDRWLTUHXUDJ-UHFFFAOYSA-N
XLogP6.80
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

4-methyl-2-[4-methyl-3-(2-methylpropyl)-1H-pyrrol-2-yl]-3-(2-methylpropyl)-1H-pyrrole
CID 86233578
3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 129287122
5-iodo-1,2,3-tris(2-methylpropyl)benzene
CID 170062078
1,3-diiodo-2-(2-methylpropyl)benzene
CID 59615643
3-(2-methylpropyl)-2-propan-2-ylthiophene
CID 58885365
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
5-(2-methylpropyl)-3H-1,3-thiazol-2-one
CID 123486048
7-chloro-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
CID 146620796
3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene
CID 86062487
[4-(2-methylpropyl)thiophen-3-yl]methanol
CID 114754445
6-ethyl-2,4-bis(2-methylpropyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174930100
2,3,5-tris(2-methylpropyl)phenol
CID 101292759

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole?
The IUPAC name of 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole (CID 102186147) is 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole.
What is the SMILES notation for 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole?
The canonical SMILES for 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole is CC(C)Cc1c[nH]c(-c2[nH]cc(CC(C)C)c2CC(C)C)c1CC(C)C.
What is the InChIKey of 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole?
The InChIKey is DRXDRWLTUHXUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-15(2)9-19-13-25-23(21(19)11-17(5)6)24-22(12-18(7)8)20(14-26-24)10-16(3)4/h13-18,25-26H,9-12H2,1-8H3.
What are the key properties of 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole?
2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole has a molecular weight of 356.60 g/mol, XLogP of 6.80, 9 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(2-methylpropyl)-1H-pyrrol-2-yl]-3,4-bis(2-methylpropyl)-1H-pyrrole is sourced from PubChem (CID 102186147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).