bis(2,2-dimethylpropane);3H-pyrrole

C14H29N — CID 160627240

IUPACbis(2,2-dimethylpropane);3H-pyrrole
SMILESC1=CN=CC1.CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/2C5H12.C4H5N/c2*1-5(2,3)4;1-2-4-5-3-1/h2*1-4H3;1,3-4H,2H2
InChIKeyRHLSFUNRVPZIAT-UHFFFAOYSA-N
MW211.39 g/mol
LogP5.08
Rot. Bonds

About bis(2,2-dimethylpropane);3H-pyrrole

bis(2,2-dimethylpropane);3H-pyrrole (PubChem CID 160627240) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is bis(2,2-dimethylpropane);3H-pyrrole.

Molecular Properties

Compound Namebis(2,2-dimethylpropane);3H-pyrrole
PubChem CID160627240
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Namebis(2,2-dimethylpropane);3H-pyrrole
SMILESC1=CN=CC1.CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/2C5H12.C4H5N/c2*1-5(2,3)4;1-2-4-5-3-1/h2*1-4H3;1,3-4H,2H2
InChIKeyRHLSFUNRVPZIAT-UHFFFAOYSA-N
XLogP5.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.39
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropane);3H-pyrrole?
The IUPAC name of bis(2,2-dimethylpropane);3H-pyrrole (CID 160627240) is bis(2,2-dimethylpropane);3H-pyrrole.
What is the SMILES notation for bis(2,2-dimethylpropane);3H-pyrrole?
The canonical SMILES for bis(2,2-dimethylpropane);3H-pyrrole is C1=CN=CC1.CC(C)(C)C.CC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropane);3H-pyrrole?
The InChIKey is RHLSFUNRVPZIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12.C4H5N/c2*1-5(2,3)4;1-2-4-5-3-1/h2*1-4H3;1,3-4H,2H2.
What are the key properties of bis(2,2-dimethylpropane);3H-pyrrole?
bis(2,2-dimethylpropane);3H-pyrrole has a molecular weight of 211.39 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropane);3H-pyrrole is sourced from PubChem (CID 160627240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).