ethane;1-propan-2-ylpyrrolidine

C15H39N — CID 167557798

IUPACethane;1-propan-2-ylpyrrolidine
SMILESCC.CC.CC.CC.CC(C)N1CCCC1
InChIInChI=1S/C7H15N.4C2H6/c1-7(2)8-5-3-4-6-8;4*1-2/h7H,3-6H2,1-2H3;4*1-2H3
InChIKeyDFXSZBJDMUNEQQ-UHFFFAOYSA-N
MW233.48 g/mol
LogP5.60
Rot. Bonds1

About ethane;1-propan-2-ylpyrrolidine

ethane;1-propan-2-ylpyrrolidine (PubChem CID 167557798) has the molecular formula C15H39N and a molecular weight of 233.48 g/mol. Its IUPAC name is ethane;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;1-propan-2-ylpyrrolidine
PubChem CID167557798
Molecular FormulaC15H39N
Molecular Weight233.48 g/mol
Exact Mass233.31
IUPAC Nameethane;1-propan-2-ylpyrrolidine
SMILESCC.CC.CC.CC.CC(C)N1CCCC1
InChIInChI=1S/C7H15N.4C2H6/c1-7(2)8-5-3-4-6-8;4*1-2/h7H,3-6H2,1-2H3;4*1-2H3
InChIKeyDFXSZBJDMUNEQQ-UHFFFAOYSA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-propan-2-ylpiperidine;hydrobromide
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N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
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fluoroform;1-propan-2-ylpyrrolidine
CID 169177583
ethene;1-propan-2-ylpiperidine
CID 177325228
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
methoxymethane;1-propan-2-ylazepane
CID 178173420
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine
CID 162750414

Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-ylpyrrolidine?
The IUPAC name of ethane;1-propan-2-ylpyrrolidine (CID 167557798) is ethane;1-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;1-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;1-propan-2-ylpyrrolidine is CC.CC.CC.CC.CC(C)N1CCCC1.
What is the InChIKey of ethane;1-propan-2-ylpyrrolidine?
The InChIKey is DFXSZBJDMUNEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.4C2H6/c1-7(2)8-5-3-4-6-8;4*1-2/h7H,3-6H2,1-2H3;4*1-2H3.
What are the key properties of ethane;1-propan-2-ylpyrrolidine?
ethane;1-propan-2-ylpyrrolidine has a molecular weight of 233.48 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 167557798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).