N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide

C13H28N4O2 — CID 77043475

IUPACN'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide
SMILESCCCN(CC(N)=NO)CC1CN(C(C)C)CCO1
InChIInChI=1S/C13H28N4O2/c1-4-5-16(10-13(14)15-18)8-12-9-17(11(2)3)6-7-19-12/h11-12,18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyUJCPVVVHPGCEOP-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.55
Rot. Bonds7

About N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide

N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide (PubChem CID 77043475) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide
PubChem CID77043475
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide
SMILESCCCN(CC(N)=NO)CC1CN(C(C)C)CCO1
InChIInChI=1S/C13H28N4O2/c1-4-5-16(10-13(14)15-18)8-12-9-17(11(2)3)6-7-19-12/h11-12,18H,4-10H2,1-3H3,(H2,14,15)
InChIKeyUJCPVVVHPGCEOP-UHFFFAOYSA-N
XLogP0.55
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide (CID 77043475) is N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide is CCCN(CC(N)=NO)CC1CN(C(C)C)CCO1.
What is the InChIKey of N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide?
The InChIKey is UJCPVVVHPGCEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-4-5-16(10-13(14)15-18)8-12-9-17(11(2)3)6-7-19-12/h11-12,18H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide?
N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide has a molecular weight of 272.39 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(4-propan-2-ylmorpholin-2-yl)methyl-propylamino]ethanimidamide is sourced from PubChem (CID 77043475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).