ethane;1-(3-methylbutan-2-yl)pyrrolidine

C11H25N — CID 178106115

IUPACethane;1-(3-methylbutan-2-yl)pyrrolidine
SMILESCC.CC(C)C(C)N1CCCC1
InChIInChI=1S/C9H19N.C2H6/c1-8(2)9(3)10-6-4-5-7-10;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyGZEZKXYMYSXJDD-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds2

About ethane;1-(3-methylbutan-2-yl)pyrrolidine

ethane;1-(3-methylbutan-2-yl)pyrrolidine (PubChem CID 178106115) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;1-(3-methylbutan-2-yl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-(3-methylbutan-2-yl)pyrrolidine
PubChem CID178106115
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;1-(3-methylbutan-2-yl)pyrrolidine
SMILESCC.CC(C)C(C)N1CCCC1
InChIInChI=1S/C9H19N.C2H6/c1-8(2)9(3)10-6-4-5-7-10;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyGZEZKXYMYSXJDD-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-propan-2-ylpyrrolidine
CID 167557798
(2S,3R)-3-pyrrolidin-1-ylbutan-2-ol
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ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
(2R,3R)-3-piperidin-1-ylbutan-2-ol
CID 51980607
(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 51624584
1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine
CID 129260340
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
ethane;1-(1-fluoroethyl)piperidine
CID 162429283
1-cyclopropyl-4-(3-methylbutan-2-yl)piperazine
CID 138669145
N-methyl-1-(3-methylbutan-2-yl)piperidin-3-amine
CID 62536720
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
2-(azepan-1-yl)pentan-3-amine
CID 16789073

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylbutan-2-yl)pyrrolidine?
The IUPAC name of ethane;1-(3-methylbutan-2-yl)pyrrolidine (CID 178106115) is ethane;1-(3-methylbutan-2-yl)pyrrolidine.
What is the SMILES notation for ethane;1-(3-methylbutan-2-yl)pyrrolidine?
The canonical SMILES for ethane;1-(3-methylbutan-2-yl)pyrrolidine is CC.CC(C)C(C)N1CCCC1.
What is the InChIKey of ethane;1-(3-methylbutan-2-yl)pyrrolidine?
The InChIKey is GZEZKXYMYSXJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6/c1-8(2)9(3)10-6-4-5-7-10;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(3-methylbutan-2-yl)pyrrolidine?
ethane;1-(3-methylbutan-2-yl)pyrrolidine has a molecular weight of 171.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylbutan-2-yl)pyrrolidine is sourced from PubChem (CID 178106115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).