3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide

C14H19N3O — CID 77075368

IUPAC3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(CNC2CC=CCC2)c1
InChIInChI=1S/C14H19N3O/c15-14(17-18)12-6-4-5-11(9-12)10-16-13-7-2-1-3-8-13/h1-2,4-6,9,13,16,18H,3,7-8,10H2,(H2,15,17)
InChIKeySKNCXYFPSRTYFE-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.98
Rot. Bonds4

About 3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide

3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77075368) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77075368
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(CNC2CC=CCC2)c1
InChIInChI=1S/C14H19N3O/c15-14(17-18)12-6-4-5-11(9-12)10-16-13-7-2-1-3-8-13/h1-2,4-6,9,13,16,18H,3,7-8,10H2,(H2,15,17)
InChIKeySKNCXYFPSRTYFE-UHFFFAOYSA-N
XLogP1.98
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
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': 'isolated_alkene', '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'-hydroxy-3-[(oxolan-3-ylamino)methyl]benzenecarboximidamide
CID 80713948
4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026385
N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
CID 114629959
N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77030094
3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77109740
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77031167
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclobutanecarboxamide
CID 76932795
N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide
CID 106136286
4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77025574
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
CID 114959565
N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide (CID 77075368) is 3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cccc(CNC2CC=CCC2)c1.
What is the InChIKey of 3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is SKNCXYFPSRTYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-14(17-18)12-6-4-5-11(9-12)10-16-13-7-2-1-3-8-13/h1-2,4-6,9,13,16,18H,3,7-8,10H2,(H2,15,17).
What are the key properties of 3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 245.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77075368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).