ethane;1-ethyl-3-methylpyrrolidine

C9H21N — CID 90936593

IUPACethane;1-ethyl-3-methylpyrrolidine
SMILESCC.CCN1CCC(C)C1
InChIInChI=1S/C7H15N.C2H6/c1-3-8-5-4-7(2)6-8;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyVDMJWQFXDXHMSV-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.37
Rot. Bonds1

About ethane;1-ethyl-3-methylpyrrolidine

ethane;1-ethyl-3-methylpyrrolidine (PubChem CID 90936593) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is ethane;1-ethyl-3-methylpyrrolidine.

Molecular Properties

Compound Nameethane;1-ethyl-3-methylpyrrolidine
PubChem CID90936593
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Nameethane;1-ethyl-3-methylpyrrolidine
SMILESCC.CCN1CCC(C)C1
InChIInChI=1S/C7H15N.C2H6/c1-3-8-5-4-7(2)6-8;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyVDMJWQFXDXHMSV-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-ethyl-3-methylpiperidine
CID 91361629
ethane;1-ethyl-4-methylpiperidine
CID 143737046
ethane;1-ethyl-3-methylazepane
CID 142283412
ethane;1-ethyl-3-methylpyrrolidine;3-methoxypropanoic acid
CID 169177238
1-ethyl-6-methylazepan-4-ol
CID 166157584
CID 23403793
CID 23403793
1,3-diethylpyrrolidine;ethane
CID 145103245
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine
CID 130727528
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
1-ethyl-4-(3-methylazetidin-1-yl)piperidine
CID 174247988

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-methylpyrrolidine?
The IUPAC name of ethane;1-ethyl-3-methylpyrrolidine (CID 90936593) is ethane;1-ethyl-3-methylpyrrolidine.
What is the SMILES notation for ethane;1-ethyl-3-methylpyrrolidine?
The canonical SMILES for ethane;1-ethyl-3-methylpyrrolidine is CC.CCN1CCC(C)C1.
What is the InChIKey of ethane;1-ethyl-3-methylpyrrolidine?
The InChIKey is VDMJWQFXDXHMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H6/c1-3-8-5-4-7(2)6-8;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-methylpyrrolidine?
ethane;1-ethyl-3-methylpyrrolidine has a molecular weight of 143.27 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-methylpyrrolidine is sourced from PubChem (CID 90936593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).