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

C12H25N3O — CID 163296307

IUPACethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
SMILESC/N=C(\N1CCCC1)N1CCOCC1.CC
InChIInChI=1S/C10H19N3O.C2H6/c1-11-10(12-4-2-3-5-12)13-6-8-14-9-7-13;1-2/h2-9H2,1H3;1-2H3/b11-10+;
InChIKeyYHDJEJKMTAEUCE-ASTDGNLGSA-N
MW227.35 g/mol
LogP1.43
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 163296307) has the molecular formula C12H25N3O and a molecular weight of 227.35 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 CID163296307
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Nameethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
SMILESC/N=C(\N1CCCC1)N1CCOCC1.CC
InChIInChI=1S/C10H19N3O.C2H6/c1-11-10(12-4-2-3-5-12)13-6-8-14-9-7-13;1-2/h2-9H2,1H3;1-2H3/b11-10+;
InChIKeyYHDJEJKMTAEUCE-ASTDGNLGSA-N
XLogP1.43
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
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

4-(1-Pyrrolidin-1-ylpropyl)morpholine
CID 20504827
4-(Pyrrolidin-1-ylmethyl)morpholine
CID 21651133
1-[1-(2-Ethoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]piperidine
CID 59325845
4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine
CID 59325846
4-(1,3-Dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine
CID 59325848
1-(2-Methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium
CID 59325849
4-[1-(2-Ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium
CID 59325857
4-[Chloro(pyrrolidin-1-ium-1-ylidene)methyl]morpholine
CID 59360854
4-(1-Pyrrolidin-1-ium-1-ylideneethyl)morpholine
CID 59360877
N-(1-methylpyrrolidin-2-ylidene)-N'-pentylmorpholine-4-carboximidamide
CID 67866815
1,3-dimethyl-N-(2-propoxyethyl)-1,3-diazinan-2-imine
CID 89589389
N,N-diethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 118603016

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 163296307) 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.
What is the InChIKey of ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine?
The InChIKey is YHDJEJKMTAEUCE-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H19N3O.C2H6/c1-11-10(12-4-2-3-5-12)13-6-8-14-9-7-13;1-2/h2-9H2,1H3;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 227.35 g/mol, XLogP of 1.43, 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 163296307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).