bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine

C19H41N3 — CID 161292212

IUPACbis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
SMILESCCC1CCN(C)C1.CCC1CCN(C)C1.CN1CCCC1
InChIInChI=1S/2C7H15N.C5H11N/c2*1-3-7-4-5-8(2)6-7;1-6-4-2-3-5-6/h2*7H,3-6H2,1-2H3;2-5H2,1H3
InChIKeyVGMUAYNELKHRMD-UHFFFAOYSA-N
MW311.56 g/mol
LogP3.41
Rot. Bonds2

About bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine

bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine (PubChem CID 161292212) has the molecular formula C19H41N3 and a molecular weight of 311.56 g/mol. Its IUPAC name is bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine.

Molecular Properties

Compound Namebis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
PubChem CID161292212
Molecular FormulaC19H41N3
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC Namebis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
SMILESCCC1CCN(C)C1.CCC1CCN(C)C1.CN1CCCC1
InChIInChI=1S/2C7H15N.C5H11N/c2*1-3-7-4-5-8(2)6-7;1-6-4-2-3-5-6/h2*7H,3-6H2,1-2H3;2-5H2,1H3
InChIKeyVGMUAYNELKHRMD-UHFFFAOYSA-N
XLogP3.41
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
ethane;3-ethyl-1-methylpiperidine
CID 142833851
ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine
CID 177009372
4-ethyl-1-methylpiperidine;formonitrile
CID 175849532
4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783
3-ethyl-1,5-dimethylazocane
CID 178124783
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63657455
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 167265161
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670

Frequently Asked Questions

What is the IUPAC name of bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine?
The IUPAC name of bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine (CID 161292212) is bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine.
What is the SMILES notation for bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine?
The canonical SMILES for bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine is CCC1CCN(C)C1.CCC1CCN(C)C1.CN1CCCC1.
What is the InChIKey of bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine?
The InChIKey is VGMUAYNELKHRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N.C5H11N/c2*1-3-7-4-5-8(2)6-7;1-6-4-2-3-5-6/h2*7H,3-6H2,1-2H3;2-5H2,1H3.
What are the key properties of bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine?
bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine has a molecular weight of 311.56 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine is sourced from PubChem (CID 161292212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).