N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide

C16H25N3O — CID 61362756

IUPACN-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide
SMILESCCOc1ccccc1/C(=N/C1CCCCCC1)NN
InChIInChI=1S/C16H25N3O/c1-2-20-15-12-8-7-11-14(15)16(19-17)18-13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10,17H2,1H3,(H,18,19)
InChIKeyLOEASORDKFXNED-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.02
Rot. Bonds4

About N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide

N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide (PubChem CID 61362756) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide
PubChem CID61362756
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide
SMILESCCOc1ccccc1/C(=N/C1CCCCCC1)NN
InChIInChI=1S/C16H25N3O/c1-2-20-15-12-8-7-11-14(15)16(19-17)18-13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10,17H2,1H3,(H,18,19)
InChIKeyLOEASORDKFXNED-UHFFFAOYSA-N
XLogP3.02
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.02
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'-cyclohexyl-2-(trifluoromethyl)benzenecarboximidamide
CID 61363510
N-amino-2-bromo-N'-cyclohexyl-3-methylbenzenecarboximidamide
CID 107983770
N-amino-3-chloro-N'-cyclopentyl-2-methylbenzenecarboximidamide
CID 107099700
N-amino-N'-cycloheptylpyridine-2-carboximidamide
CID 61361948
N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63049159
N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide
CID 61361337
cyclododecyl 2-ethoxybenzenecarboperoxoate
CID 173265751
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
N-amino-N'-cyclohexyl-4-fluoro-3-methoxybenzenecarboximidamide
CID 81284145
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
2-cyclohexylsulfanyl-1-(2-ethoxyphenyl)ethanone
CID 60884096
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide?
The IUPAC name of N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide (CID 61362756) is N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide is CCOc1ccccc1/C(=N/C1CCCCCC1)NN.
What is the InChIKey of N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide?
The InChIKey is LOEASORDKFXNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-20-15-12-8-7-11-14(15)16(19-17)18-13-9-5-3-4-6-10-13/h7-8,11-13H,2-6,9-10,17H2,1H3,(H,18,19).
What are the key properties of N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide?
N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide has a molecular weight of 275.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide is sourced from PubChem (CID 61362756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).