N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide

C10H22N4O2 — CID 104883871

IUPACN-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCOCC1C
InChIInChI=1S/C10H22N4O2/c1-9-8-16-7-5-14(9)10(13-11)12-4-3-6-15-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyFBAQEPBXIUTORG-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.44
Rot. Bonds4

About N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide

N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide (PubChem CID 104883871) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide
PubChem CID104883871
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC NameN-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCOCC1C
InChIInChI=1S/C10H22N4O2/c1-9-8-16-7-5-14(9)10(13-11)12-4-3-6-15-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyFBAQEPBXIUTORG-UHFFFAOYSA-N
XLogP-0.44
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-3-methyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 104883874
N-amino-N'-(3-methoxypropyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboximidamide
CID 104885426
N-amino-2-ethyl-N'-(3-methoxypropyl)azepane-1-carboximidamide
CID 104888677
N-amino-N'-cyclohexyl-3-methylmorpholine-4-carboximidamide
CID 104883870
N-amino-3-methoxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 103542263
N-amino-N'-(3-ethoxypropyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboximidamide
CID 104887655
N-amino-N'-(3-methoxypropyl)-2,2-dimethylpyrrolidine-1-carboximidamide
CID 104885913
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
N-amino-N'-(3-methoxypropyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 104887576
3-amino-2-(3-methoxypropyl)-1-methyl-1-(oxan-4-ylmethyl)guanidine
CID 104886221
2-[2-methoxyethyl-(3-methylmorpholine-4-carbonyl)amino]acetic acid
CID 79271907
3-amino-1-(2-methoxyethyl)-1,2-bis(3-methoxypropyl)guanidine
CID 104884958

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide?
The IUPAC name of N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide (CID 104883871) is N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide is COCCC/N=C(\NN)N1CCOCC1C.
What is the InChIKey of N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide?
The InChIKey is FBAQEPBXIUTORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-9-8-16-7-5-14(9)10(13-11)12-4-3-6-15-2/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide?
N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide has a molecular weight of 230.31 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-methoxypropyl)-3-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 104883871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).