ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine

C14H31N3O — CID 176964319

IUPACethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
SMILESC/N=C(\N1CCCC1)N1CCOCC1.CC.CC
InChIInChI=1S/C10H19N3O.2C2H6/c1-11-10(12-4-2-3-5-12)13-6-8-14-9-7-13;2*1-2/h2-9H2,1H3;2*1-2H3/b11-10+;;
InChIKeySKGXCRNIIGMYBJ-BGNBUWATSA-N
MW257.42 g/mol
LogP2.45
Rot. Bonds

About ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine

ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine (PubChem CID 176964319) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Nameethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
PubChem CID176964319
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Nameethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
SMILESC/N=C(\N1CCCC1)N1CCOCC1.CC.CC
InChIInChI=1S/C10H19N3O.2C2H6/c1-11-10(12-4-2-3-5-12)13-6-8-14-9-7-13;2*1-2/h2-9H2,1H3;2*1-2H3/b11-10+;;
InChIKeySKGXCRNIIGMYBJ-BGNBUWATSA-N
XLogP2.45
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(azetidin-1-yl)-N-methylmethanimine
CID 166858642
N,2,2-trimethyl-1-morpholin-4-ylpropan-1-imine
CID 58320130
4-[(E)-2-fluoro-1-pyrrolidin-1-ylethenyl]morpholine
CID 135169406
ethane;1-morpholin-4-ylethanethione
CID 142226083
N-methyl-1-pyrrolidin-1-ylethanimine
CID 18728217
N'-ethyl-1,4-oxazepane-4-carboximidamide
CID 62972618
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
2-bromo-1-(1,4-oxazepan-4-yl)ethanone
CID 63679551
2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone
CID 21435705
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
CID 154703363

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine (CID 176964319) is ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine is C/N=C(\N1CCCC1)N1CCOCC1.CC.CC.
What is the InChIKey of ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine?
The InChIKey is SKGXCRNIIGMYBJ-BGNBUWATSA-N. The full InChI is InChI=1S/C10H19N3O.2C2H6/c1-11-10(12-4-2-3-5-12)13-6-8-14-9-7-13;2*1-2/h2-9H2,1H3;2*1-2H3/b11-10+;;.
What are the key properties of ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine?
ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine has a molecular weight of 257.42 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 176964319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).