ethane;N-methyl-1-pyrrolidin-1-ylethanimine

C9H20N2 — CID 54228523

IUPACethane;N-methyl-1-pyrrolidin-1-ylethanimine
SMILESC/N=C(\C)N1CCCC1.CC
InChIInChI=1S/C7H14N2.C2H6/c1-7(8-2)9-5-3-4-6-9;1-2/h3-6H2,1-2H3;1-2H3/b8-7+;
InChIKeyQHOGZDOOVRZMEE-USRGLUTNSA-N
MW156.27 g/mol
LogP2.16
Rot. Bonds

About ethane;N-methyl-1-pyrrolidin-1-ylethanimine

ethane;N-methyl-1-pyrrolidin-1-ylethanimine (PubChem CID 54228523) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;N-methyl-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound Nameethane;N-methyl-1-pyrrolidin-1-ylethanimine
PubChem CID54228523
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;N-methyl-1-pyrrolidin-1-ylethanimine
SMILESC/N=C(\C)N1CCCC1.CC
InChIInChI=1S/C7H14N2.C2H6/c1-7(8-2)9-5-3-4-6-9;1-2/h3-6H2,1-2H3;1-2H3/b8-7+;
InChIKeyQHOGZDOOVRZMEE-USRGLUTNSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-pyrrolidin-1-ylethanimine?
The IUPAC name of ethane;N-methyl-1-pyrrolidin-1-ylethanimine (CID 54228523) is ethane;N-methyl-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for ethane;N-methyl-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for ethane;N-methyl-1-pyrrolidin-1-ylethanimine is C/N=C(\C)N1CCCC1.CC.
What is the InChIKey of ethane;N-methyl-1-pyrrolidin-1-ylethanimine?
The InChIKey is QHOGZDOOVRZMEE-USRGLUTNSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-7(8-2)9-5-3-4-6-9;1-2/h3-6H2,1-2H3;1-2H3/b8-7+;.
What are the key properties of ethane;N-methyl-1-pyrrolidin-1-ylethanimine?
ethane;N-methyl-1-pyrrolidin-1-ylethanimine has a molecular weight of 156.27 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 54228523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).