5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide

C13H27N3O2 — CID 114119503

IUPAC5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide
SMILESCCOC1CC(NCCCCC(N)=NO)C1(C)C
InChIInChI=1S/C13H27N3O2/c1-4-18-11-9-10(13(11,2)3)15-8-6-5-7-12(14)16-17/h10-11,15,17H,4-9H2,1-3H3,(H2,14,16)
InChIKeyNQAGOCWDXFKYGK-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.70
Rot. Bonds8

About 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide

5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide (PubChem CID 114119503) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide
PubChem CID114119503
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide
SMILESCCOC1CC(NCCCCC(N)=NO)C1(C)C
InChIInChI=1S/C13H27N3O2/c1-4-18-11-9-10(13(11,2)3)15-8-6-5-7-12(14)16-17/h10-11,15,17H,4-9H2,1-3H3,(H2,14,16)
InChIKeyNQAGOCWDXFKYGK-UHFFFAOYSA-N
XLogP1.70
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
CID 114119160
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
CID 64851694
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine
CID 103734487
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanamide
CID 64851177
6-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-6-oxohexanoic acid
CID 114118834
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
N'-(3-methoxy-2,2-dimethylcyclobutyl)heptane-1,7-diamine
CID 114119731

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide (CID 114119503) is 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide is CCOC1CC(NCCCCC(N)=NO)C1(C)C.
What is the InChIKey of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is NQAGOCWDXFKYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-18-11-9-10(13(11,2)3)15-8-6-5-7-12(14)16-17/h10-11,15,17H,4-9H2,1-3H3,(H2,14,16).
What are the key properties of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide?
5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 114119503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).