N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide

C7H15N3O2 — CID 70343607

IUPACN'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide
SMILESNC(CN1CCOCC1)=NCO
InChIInChI=1S/C7H15N3O2/c8-7(9-6-11)5-10-1-3-12-4-2-10/h11H,1-6H2,(H2,8,9)
InChIKeyKFQOMGOKJSKTHQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.37
Rot. Bonds3

About N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide

N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide (PubChem CID 70343607) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide.

Molecular Properties

Compound NameN'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide
PubChem CID70343607
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide
SMILESNC(CN1CCOCC1)=NCO
InChIInChI=1S/C7H15N3O2/c8-7(9-6-11)5-10-1-3-12-4-2-10/h11H,1-6H2,(H2,8,9)
InChIKeyKFQOMGOKJSKTHQ-UHFFFAOYSA-N
XLogP-1.37
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
N'-(3-morpholin-4-ylpropyl)propanimidamide
CID 63175512
2-chloro-N'-(3-morpholin-4-ylpropyl)ethanimidamide;hydrochloride
CID 54610602
4-(2-methylbuta-2,3-dienyl)morpholine
CID 14891012
(1-morpholin-4-ylpropan-2-ylideneamino)thiourea
CID 154266598
1-amino-2-(2-morpholin-4-ylethyl)guanidine
CID 15114686
2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 68772351
N'-hydroxy-2-[methyl(2-morpholin-4-ylethyl)amino]ethanimidamide
CID 76929225
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386

Frequently Asked Questions

What is the IUPAC name of N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide?
The IUPAC name of N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide (CID 70343607) is N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide.
What is the SMILES notation for N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide?
The canonical SMILES for N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide is NC(CN1CCOCC1)=NCO.
What is the InChIKey of N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide?
The InChIKey is KFQOMGOKJSKTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c8-7(9-6-11)5-10-1-3-12-4-2-10/h11H,1-6H2,(H2,8,9).
What are the key properties of N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide?
N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide has a molecular weight of 173.22 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(hydroxymethyl)-2-morpholin-4-ylethanimidamide is sourced from PubChem (CID 70343607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).