1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide

C14H25N3O2 — CID 80593908

IUPAC1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
SMILESCC1(C)CCCN(C(=O)C2(C(N)=NO)CCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-13(2)5-4-9-17(10-8-13)12(18)14(6-3-7-14)11(15)16-19/h19H,3-10H2,1-2H3,(H2,15,16)
InChIKeySEOHGDORSGLKKW-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.94
Rot. Bonds2

About 1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide

1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide (PubChem CID 80593908) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide.

Molecular Properties

Compound Name1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
PubChem CID80593908
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
SMILESCC1(C)CCCN(C(=O)C2(C(N)=NO)CCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-13(2)5-4-9-17(10-8-13)12(18)14(6-3-7-14)11(15)16-19/h19H,3-10H2,1-2H3,(H2,15,16)
InChIKeySEOHGDORSGLKKW-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594068
1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide
CID 77016550
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
CID 80594059
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
CID 77024798
N'-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carboximidamide
CID 80597473
N'-hydroxy-1-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80590861
1-(4-tert-butylpiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76921074

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide?
The IUPAC name of 1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide (CID 80593908) is 1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide.
What is the SMILES notation for 1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide?
The canonical SMILES for 1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide is CC1(C)CCCN(C(=O)C2(C(N)=NO)CCC2)CC1.
What is the InChIKey of 1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide?
The InChIKey is SEOHGDORSGLKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2)5-4-9-17(10-8-13)12(18)14(6-3-7-14)11(15)16-19/h19H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of 1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide?
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide has a molecular weight of 267.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide is sourced from PubChem (CID 80593908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).