2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide

C16H23N3O — CID 77029871

IUPAC2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CNCCC1=CCCCC1
InChIInChI=1S/C16H23N3O/c17-16(19-20)15-9-5-4-8-14(15)12-18-11-10-13-6-2-1-3-7-13/h4-6,8-9,18,20H,1-3,7,10-12H2,(H2,17,19)
InChIKeyJXBARFFQRBCSHA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds6

About 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide

2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77029871) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77029871
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CNCCC1=CCCCC1
InChIInChI=1S/C16H23N3O/c17-16(19-20)15-9-5-4-8-14(15)12-18-11-10-13-6-2-1-3-7-13/h4-6,8-9,18,20H,1-3,7,10-12H2,(H2,17,19)
InChIKeyJXBARFFQRBCSHA-UHFFFAOYSA-N
XLogP2.76
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide with MolForge

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Related Compounds

2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
CID 55061824
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzene-1,3-diol
CID 28620790
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide
CID 77029656
2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664517
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
2-[(2,3-dihydroxypropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77113883

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide (CID 77029871) is 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccccc1CNCCC1=CCCCC1.
What is the InChIKey of 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is JXBARFFQRBCSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(19-20)15-9-5-4-8-14(15)12-18-11-10-13-6-2-1-3-7-13/h4-6,8-9,18,20H,1-3,7,10-12H2,(H2,17,19).
What are the key properties of 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide?
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 273.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77029871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).