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

C13H27N3O — CID 176964320

IUPACN-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane
SMILESC/N=C(\N1CCCC1)N1CCOCC1.CCC
InChIInChI=1S/C10H19N3O.C3H8/c1-11-10(12-4-2-3-5-12)13-6-8-14-9-7-13;1-3-2/h2-9H2,1H3;3H2,1-2H3/b11-10+;
InChIKeyTZBWTPKXQSHHPM-ASTDGNLGSA-N
MW241.38 g/mol
LogP1.82
Rot. Bonds

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

N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane (PubChem CID 176964320) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane.

Molecular Properties

Compound NameN-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane
PubChem CID176964320
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane
SMILESC/N=C(\N1CCCC1)N1CCOCC1.CCC
InChIInChI=1S/C10H19N3O.C3H8/c1-11-10(12-4-2-3-5-12)13-6-8-14-9-7-13;1-3-2/h2-9H2,1H3;3H2,1-2H3/b11-10+;
InChIKeyTZBWTPKXQSHHPM-ASTDGNLGSA-N
XLogP1.82
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.82
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 N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane?
The IUPAC name of N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane (CID 176964320) is N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane.
What is the SMILES notation for N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane?
The canonical SMILES for N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane is C/N=C(\N1CCCC1)N1CCOCC1.CCC.
What is the InChIKey of N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane?
The InChIKey is TZBWTPKXQSHHPM-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H19N3O.C3H8/c1-11-10(12-4-2-3-5-12)13-6-8-14-9-7-13;1-3-2/h2-9H2,1H3;3H2,1-2H3/b11-10+;.
What are the key properties of N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane?
N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane has a molecular weight of 241.38 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine;propane is sourced from PubChem (CID 176964320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).