N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide

C16H29N3O2 — CID 77024798

IUPACN'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
SMILESCC(C)C1CCCN(C(=O)C2(C(N)=NO)CCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)13-6-5-10-19(11-7-13)15(20)16(14(17)18-21)8-3-4-9-16/h12-13,21H,3-11H2,1-2H3,(H2,17,18)
InChIKeyUJTBMKYJOCNRKW-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.58
Rot. Bonds3

About N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide

N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide (PubChem CID 77024798) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
PubChem CID77024798
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
SMILESCC(C)C1CCCN(C(=O)C2(C(N)=NO)CCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)13-6-5-10-19(11-7-13)15(20)16(14(17)18-21)8-3-4-9-16/h12-13,21H,3-11H2,1-2H3,(H2,17,18)
InChIKeyUJTBMKYJOCNRKW-UHFFFAOYSA-N
XLogP2.58
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.58
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

N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 103942925
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-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-1-(2-propan-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 77099107
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 76921050
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80593908
N'-hydroxy-1-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80590861
1-(3-ethoxypiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76921633
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide (CID 77024798) is N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide is CC(C)C1CCCN(C(=O)C2(C(N)=NO)CCCC2)CC1.
What is the InChIKey of N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide?
The InChIKey is UJTBMKYJOCNRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)13-6-5-10-19(11-7-13)15(20)16(14(17)18-21)8-3-4-9-16/h12-13,21H,3-11H2,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide?
N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide has a molecular weight of 295.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide is sourced from PubChem (CID 77024798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).