N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide

C12H27N3O3 — CID 103409985

IUPACN'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
SMILESCOCCOCCCN(CCC(N)=NO)C(C)C
InChIInChI=1S/C12H27N3O3/c1-11(2)15(7-5-12(13)14-16)6-4-8-18-10-9-17-3/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeyZIZOYISHPIMVDH-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.89
Rot. Bonds11

About N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide

N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide (PubChem CID 103409985) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
PubChem CID103409985
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC NameN'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
SMILESCOCCOCCCN(CCC(N)=NO)C(C)C
InChIInChI=1S/C12H27N3O3/c1-11(2)15(7-5-12(13)14-16)6-4-8-18-10-9-17-3/h11,16H,4-10H2,1-3H3,(H2,13,14)
InChIKeyZIZOYISHPIMVDH-UHFFFAOYSA-N
XLogP0.89
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide
CID 103410003
N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103409174
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 103413010
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
CID 103409990
2-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxyethanimidamide
CID 103409988
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093
N'-hydroxy-5-(3-methoxypropoxy)pentanimidamide
CID 109374764
N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 54998200
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 103409983
5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide
CID 82951100

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide (CID 103409985) is N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide is COCCOCCCN(CCC(N)=NO)C(C)C.
What is the InChIKey of N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide?
The InChIKey is ZIZOYISHPIMVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3/c1-11(2)15(7-5-12(13)14-16)6-4-8-18-10-9-17-3/h11,16H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide?
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide has a molecular weight of 261.37 g/mol, XLogP of 0.89, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide is sourced from PubChem (CID 103409985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).