N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide

C13H25N3O2 — CID 76947015

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide
SMILESCCCN(CC(N)=NO)C(=O)C1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-2-9-16(10-12(14)15-18)13(17)11-7-5-3-4-6-8-11/h11,18H,2-10H2,1H3,(H2,14,15)
InChIKeyKJSHJDZCRJDYJB-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.94
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide (PubChem CID 76947015) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide
PubChem CID76947015
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide
SMILESCCCN(CC(N)=NO)C(=O)C1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-2-9-16(10-12(14)15-18)13(17)11-7-5-3-4-6-8-11/h11,18H,2-10H2,1H3,(H2,14,15)
InChIKeyKJSHJDZCRJDYJB-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
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

N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclohexanecarboxamide
CID 76929305
N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide
CID 76929255
N-(2-amino-2-hydroxyiminoethyl)-1,1-dioxo-N-propylthiane-2-carboxamide
CID 104521777
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
CID 77052784
N-(2-amino-2-hydroxyiminoethyl)-N-propylthiolane-2-carboxamide
CID 77021503
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
N-(2-amino-2-hydroxyiminoethyl)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 76927861
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
N-(2-amino-2-hydroxyiminoethyl)-5-methyl-N-propyloxolane-2-carboxamide
CID 81326683
N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide
CID 76929440
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide (CID 76947015) is N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide is CCCN(CC(N)=NO)C(=O)C1CCCCCC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide?
The InChIKey is KJSHJDZCRJDYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-9-16(10-12(14)15-18)13(17)11-7-5-3-4-6-8-11/h11,18H,2-10H2,1H3,(H2,14,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide is sourced from PubChem (CID 76947015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).