ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole

C16H35N — CID 143653250

IUPACethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole
SMILESCC.CCC(C)C.CCC(CC)N1C=CCC1
InChIInChI=1S/C9H17N.C5H12.C2H6/c1-3-9(4-2)10-7-5-6-8-10;1-4-5(2)3;1-2/h5,7,9H,3-4,6,8H2,1-2H3;5H,4H2,1-3H3;1-2H3
InChIKeyOORHTRPBTXDCFR-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.47
Rot. Bonds4

About ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole

ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole (PubChem CID 143653250) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Nameethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole
PubChem CID143653250
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Nameethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole
SMILESCC.CCC(C)C.CCC(CC)N1C=CCC1
InChIInChI=1S/C9H17N.C5H12.C2H6/c1-3-9(4-2)10-7-5-6-8-10;1-4-5(2)3;1-2/h5,7,9H,3-4,6,8H2,1-2H3;5H,4H2,1-3H3;1-2H3
InChIKeyOORHTRPBTXDCFR-UHFFFAOYSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole?
The IUPAC name of ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole (CID 143653250) is ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole.
What is the SMILES notation for ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole?
The canonical SMILES for ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole is CC.CCC(C)C.CCC(CC)N1C=CCC1.
What is the InChIKey of ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole?
The InChIKey is OORHTRPBTXDCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C5H12.C2H6/c1-3-9(4-2)10-7-5-6-8-10;1-4-5(2)3;1-2/h5,7,9H,3-4,6,8H2,1-2H3;5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole?
ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole has a molecular weight of 241.46 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutane;1-pentan-3-yl-2,3-dihydropyrrole is sourced from PubChem (CID 143653250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).