N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide

C11H23N3O — CID 103166308

IUPACN-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide
SMILESCCC/N=C(/CC1CC(OCC)C1)NN
InChIInChI=1S/C11H23N3O/c1-3-5-13-11(14-12)8-9-6-10(7-9)15-4-2/h9-10H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyWRHOQPBGSPSILZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.46
Rot. Bonds6

About N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide

N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide (PubChem CID 103166308) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide.

Molecular Properties

Compound NameN-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide
PubChem CID103166308
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide
SMILESCCC/N=C(/CC1CC(OCC)C1)NN
InChIInChI=1S/C11H23N3O/c1-3-5-13-11(14-12)8-9-6-10(7-9)15-4-2/h9-10H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyWRHOQPBGSPSILZ-UHFFFAOYSA-N
XLogP1.46
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide?
The IUPAC name of N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide (CID 103166308) is N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide.
What is the SMILES notation for N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide?
The canonical SMILES for N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide is CCC/N=C(/CC1CC(OCC)C1)NN.
What is the InChIKey of N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide?
The InChIKey is WRHOQPBGSPSILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-5-13-11(14-12)8-9-6-10(7-9)15-4-2/h9-10H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide?
N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-(3-ethoxycyclobutyl)-N'-propylethanimidamide is sourced from PubChem (CID 103166308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).