N-amino-N'-cyclopentyloxane-3-carboximidamide

C11H21N3O — CID 63015814

IUPACN-amino-N'-cyclopentyloxane-3-carboximidamide
SMILESNN/C(=N\C1CCCC1)C1CCCOC1
InChIInChI=1S/C11H21N3O/c12-14-11(9-4-3-7-15-8-9)13-10-5-1-2-6-10/h9-10H,1-8,12H2,(H,13,14)
InChIKeyBVSFNBWLNWCJAH-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.22
Rot. Bonds2

About N-amino-N'-cyclopentyloxane-3-carboximidamide

N-amino-N'-cyclopentyloxane-3-carboximidamide (PubChem CID 63015814) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-amino-N'-cyclopentyloxane-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyloxane-3-carboximidamide
PubChem CID63015814
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-amino-N'-cyclopentyloxane-3-carboximidamide
SMILESNN/C(=N\C1CCCC1)C1CCCOC1
InChIInChI=1S/C11H21N3O/c12-14-11(9-4-3-7-15-8-9)13-10-5-1-2-6-10/h9-10H,1-8,12H2,(H,13,14)
InChIKeyBVSFNBWLNWCJAH-UHFFFAOYSA-N
XLogP1.22
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.22
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-N'-cyclopentyloxane-3-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyloxane-3-carboximidamide (CID 63015814) is N-amino-N'-cyclopentyloxane-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyloxane-3-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyloxane-3-carboximidamide is NN/C(=N\C1CCCC1)C1CCCOC1.
What is the InChIKey of N-amino-N'-cyclopentyloxane-3-carboximidamide?
The InChIKey is BVSFNBWLNWCJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-14-11(9-4-3-7-15-8-9)13-10-5-1-2-6-10/h9-10H,1-8,12H2,(H,13,14).
What are the key properties of N-amino-N'-cyclopentyloxane-3-carboximidamide?
N-amino-N'-cyclopentyloxane-3-carboximidamide has a molecular weight of 211.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyloxane-3-carboximidamide is sourced from PubChem (CID 63015814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).