3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide

C11H25N3O2 — CID 76912544

IUPAC3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(CC)C(C)COC
InChIInChI=1S/C11H25N3O2/c1-5-10(7-11(12)13-15)14(6-2)9(3)8-16-4/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyNCOQOJHGMPYSAV-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.26
Rot. Bonds8

About 3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide

3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide (PubChem CID 76912544) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide
PubChem CID76912544
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(CC)C(C)COC
InChIInChI=1S/C11H25N3O2/c1-5-10(7-11(12)13-15)14(6-2)9(3)8-16-4/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyNCOQOJHGMPYSAV-UHFFFAOYSA-N
XLogP1.26
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.26
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'}, {'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 3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide (CID 76912544) is 3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)N(CC)C(C)COC.
What is the InChIKey of 3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide?
The InChIKey is NCOQOJHGMPYSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-5-10(7-11(12)13-15)14(6-2)9(3)8-16-4/h9-10,15H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of 3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide?
3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 76912544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).