N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide

C11H21N3O2 — CID 114780390

IUPACN'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide
SMILESCC1(C)CN(/C(N)=N/C2CC2)CC(CO)O1
InChIInChI=1S/C11H21N3O2/c1-11(2)7-14(5-9(6-15)16-11)10(12)13-8-3-4-8/h8-9,15H,3-7H2,1-2H3,(H2,12,13)
InChIKeyQEMLTOLTXIUJSQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.06
Rot. Bonds2

About N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide

N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide (PubChem CID 114780390) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide
PubChem CID114780390
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide
SMILESCC1(C)CN(/C(N)=N/C2CC2)CC(CO)O1
InChIInChI=1S/C11H21N3O2/c1-11(2)7-14(5-9(6-15)16-11)10(12)13-8-3-4-8/h8-9,15H,3-7H2,1-2H3,(H2,12,13)
InChIKeyQEMLTOLTXIUJSQ-UHFFFAOYSA-N
XLogP-0.06
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
N'-cyclopropyl-2-(hydroxymethyl)morpholine-4-carboximidamide
CID 81213177
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
3-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 114778938
N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776563
2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
CID 114778946
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide
CID 104969920
(3-aminocyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776790
(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780403
[1-(aminomethyl)cyclopentyl]-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776550
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(thiolan-2-yl)methanone
CID 114778295
2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114776775

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide?
The IUPAC name of N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide (CID 114780390) is N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide?
The canonical SMILES for N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide is CC1(C)CN(/C(N)=N/C2CC2)CC(CO)O1.
What is the InChIKey of N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide?
The InChIKey is QEMLTOLTXIUJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2)7-14(5-9(6-15)16-11)10(12)13-8-3-4-8/h8-9,15H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide?
N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide has a molecular weight of 227.31 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 114780390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).