N-amino-N'-cycloheptyloxane-3-carboximidamide

C13H25N3O — CID 63015816

IUPACN-amino-N'-cycloheptyloxane-3-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)C1CCCOC1
InChIInChI=1S/C13H25N3O/c14-16-13(11-6-5-9-17-10-11)15-12-7-3-1-2-4-8-12/h11-12H,1-10,14H2,(H,15,16)
InChIKeyNCGKKPOXCNYKER-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.00
Rot. Bonds2

About N-amino-N'-cycloheptyloxane-3-carboximidamide

N-amino-N'-cycloheptyloxane-3-carboximidamide (PubChem CID 63015816) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-amino-N'-cycloheptyloxane-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyloxane-3-carboximidamide
PubChem CID63015816
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-amino-N'-cycloheptyloxane-3-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)C1CCCOC1
InChIInChI=1S/C13H25N3O/c14-16-13(11-6-5-9-17-10-11)15-12-7-3-1-2-4-8-12/h11-12H,1-10,14H2,(H,15,16)
InChIKeyNCGKKPOXCNYKER-UHFFFAOYSA-N
XLogP2.00
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.00
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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Related Compounds

N-amino-N'-cycloheptylcycloheptanecarboximidamide
CID 55194306
N-amino-N'-cyclopropylcyclopentanecarboximidamide
CID 61362316
N-amino-N'-cyclohexyloxolane-2-carboximidamide
CID 61363503
oxepane-3-carbohydrazide
CID 84650776
N-amino-N'-cyclohexyladamantane-2-carboximidamide
CID 81098708
(3R)-oxane-3-carbothioamide
CID 96581763
3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine
CID 104886264
N-amino-N'-cyclohexyl-3-methylmorpholine-4-carboximidamide
CID 104883870
N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide
CID 114097163
1-amino-2-cyclohexylguanidine;hydrochloride
CID 91622736
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
oxane-3-carboxamide
CID 22714381

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptyloxane-3-carboximidamide?
The IUPAC name of N-amino-N'-cycloheptyloxane-3-carboximidamide (CID 63015816) is N-amino-N'-cycloheptyloxane-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptyloxane-3-carboximidamide?
The canonical SMILES for N-amino-N'-cycloheptyloxane-3-carboximidamide is NN/C(=N\C1CCCCCC1)C1CCCOC1.
What is the InChIKey of N-amino-N'-cycloheptyloxane-3-carboximidamide?
The InChIKey is NCGKKPOXCNYKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-16-13(11-6-5-9-17-10-11)15-12-7-3-1-2-4-8-12/h11-12H,1-10,14H2,(H,15,16).
What are the key properties of N-amino-N'-cycloheptyloxane-3-carboximidamide?
N-amino-N'-cycloheptyloxane-3-carboximidamide has a molecular weight of 239.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyloxane-3-carboximidamide is sourced from PubChem (CID 63015816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).