N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide

C10H19N3O2 — CID 111600999

IUPACN'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC1(CO)CC1)N1CCOCC1
InChIInChI=1S/C10H19N3O2/c11-9(13-3-5-15-6-4-13)12-7-10(8-14)1-2-10/h14H,1-8H2,(H2,11,12)
InChIKeyVGEHQPUVZHPABC-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.59
Rot. Bonds3

About N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide

N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide (PubChem CID 111600999) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
PubChem CID111600999
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC1(CO)CC1)N1CCOCC1
InChIInChI=1S/C10H19N3O2/c11-9(13-3-5-15-6-4-13)12-7-10(8-14)1-2-10/h14H,1-8H2,(H2,11,12)
InChIKeyVGEHQPUVZHPABC-UHFFFAOYSA-N
XLogP-0.59
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.59
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

N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide
CID 119120839
N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide
CID 120762517
N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120558150
N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662401
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120973772
N'-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]thiomorpholine-4-carboximidamide
CID 119164146
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111911855
N'-[(1-ethylcyclopropyl)methyl]piperidine-1-carboximidamide
CID 111824620
N'-[(4-morpholin-4-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 122098612
N'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide (CID 111600999) is N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide is N/C(=N\CC1(CO)CC1)N1CCOCC1.
What is the InChIKey of N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide?
The InChIKey is VGEHQPUVZHPABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-9(13-3-5-15-6-4-13)12-7-10(8-14)1-2-10/h14H,1-8H2,(H2,11,12).
What are the key properties of N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide?
N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide has a molecular weight of 213.28 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111600999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).