ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine

C17H39N — CID 172617220

IUPACethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine
SMILESCC.CC.CCC(C)CCC1(CC)CCN(C)C1
InChIInChI=1S/C13H27N.2C2H6/c1-5-12(3)7-8-13(6-2)9-10-14(4)11-13;2*1-2/h12H,5-11H2,1-4H3;2*1-2H3
InChIKeyRVGVACGUZYNMOK-UHFFFAOYSA-N
MW257.51 g/mol
LogP5.60
Rot. Bonds5

About ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine

ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine (PubChem CID 172617220) has the molecular formula C17H39N and a molecular weight of 257.51 g/mol. Its IUPAC name is ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine.

Molecular Properties

Compound Nameethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine
PubChem CID172617220
Molecular FormulaC17H39N
Molecular Weight257.51 g/mol
Exact Mass257.31
IUPAC Nameethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine
SMILESCC.CC.CCC(C)CCC1(CC)CCN(C)C1
InChIInChI=1S/C13H27N.2C2H6/c1-5-12(3)7-8-13(6-2)9-10-14(4)11-13;2*1-2/h12H,5-11H2,1-4H3;2*1-2H3
InChIKeyRVGVACGUZYNMOK-UHFFFAOYSA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.51
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine?
The IUPAC name of ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine (CID 172617220) is ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine.
What is the SMILES notation for ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine?
The canonical SMILES for ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine is CC.CC.CCC(C)CCC1(CC)CCN(C)C1.
What is the InChIKey of ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine?
The InChIKey is RVGVACGUZYNMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.2C2H6/c1-5-12(3)7-8-13(6-2)9-10-14(4)11-13;2*1-2/h12H,5-11H2,1-4H3;2*1-2H3.
What are the key properties of ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine?
ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine has a molecular weight of 257.51 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine is sourced from PubChem (CID 172617220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).