ethane;2-ethyl-1-pentan-2-ylpyrrolidine

C13H29N — CID 156889102

IUPACethane;2-ethyl-1-pentan-2-ylpyrrolidine
SMILESCC.CCCC(C)N1CCCC1CC
InChIInChI=1S/C11H23N.C2H6/c1-4-7-10(3)12-9-6-8-11(12)5-2;1-2/h10-11H,4-9H2,1-3H3;1-2H3
InChIKeyJNOMRBBCFNVHKP-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.08
Rot. Bonds4

About ethane;2-ethyl-1-pentan-2-ylpyrrolidine

ethane;2-ethyl-1-pentan-2-ylpyrrolidine (PubChem CID 156889102) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is ethane;2-ethyl-1-pentan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;2-ethyl-1-pentan-2-ylpyrrolidine
PubChem CID156889102
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameethane;2-ethyl-1-pentan-2-ylpyrrolidine
SMILESCC.CCCC(C)N1CCCC1CC
InChIInChI=1S/C11H23N.C2H6/c1-4-7-10(3)12-9-6-8-11(12)5-2;1-2/h10-11H,4-9H2,1-3H3;1-2H3
InChIKeyJNOMRBBCFNVHKP-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(chloromethyl)-1-pentan-2-ylpyrrolidine
CID 107887378
4-(2-ethylpyrrolidin-1-yl)pentan-1-amine
CID 62437661
2-(2-ethylpyrrolidin-1-yl)pentan-1-amine
CID 60974673
N-ethyl-3-(2-ethylpiperidin-1-yl)butan-1-amine
CID 62421039
N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62438040
1-(1-cyclopropylethyl)-2-ethylpyrrolidine
CID 166157923
3-(2-ethylpyrrolidin-1-yl)butan-2-amine
CID 61354577
N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine
CID 104692382
2-ethyl-1-pentan-2-ylpiperazine
CID 64938053
ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate
CID 83042014
N-[2-(2-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62417609
4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 64726316

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1-pentan-2-ylpyrrolidine?
The IUPAC name of ethane;2-ethyl-1-pentan-2-ylpyrrolidine (CID 156889102) is ethane;2-ethyl-1-pentan-2-ylpyrrolidine.
What is the SMILES notation for ethane;2-ethyl-1-pentan-2-ylpyrrolidine?
The canonical SMILES for ethane;2-ethyl-1-pentan-2-ylpyrrolidine is CC.CCCC(C)N1CCCC1CC.
What is the InChIKey of ethane;2-ethyl-1-pentan-2-ylpyrrolidine?
The InChIKey is JNOMRBBCFNVHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C2H6/c1-4-7-10(3)12-9-6-8-11(12)5-2;1-2/h10-11H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-1-pentan-2-ylpyrrolidine?
ethane;2-ethyl-1-pentan-2-ylpyrrolidine has a molecular weight of 199.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1-pentan-2-ylpyrrolidine is sourced from PubChem (CID 156889102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).