3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide

C14H22ClN3O — CID 102667113

IUPAC3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCCC(CC)NCc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-3-5-12(4-2)17-9-11-7-6-10(8-13(11)15)14(16)18-19/h6-8,12,17,19H,3-5,9H2,1-2H3,(H2,16,18)
InChIKeyIPJFLPCRDVRZOX-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.10
Rot. Bonds7

About 3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 102667113) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID102667113
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCCC(CC)NCc1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C14H22ClN3O/c1-3-5-12(4-2)17-9-11-7-6-10(8-13(11)15)14(16)18-19/h6-8,12,17,19H,3-5,9H2,1-2H3,(H2,16,18)
InChIKeyIPJFLPCRDVRZOX-UHFFFAOYSA-N
XLogP3.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.10
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N'-hydroxy-4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzenecarboximidamide
CID 106161712
3-chloro-4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102667216
3-chloro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 102664053
2-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77028016
3-chloro-N'-hydroxy-4-[(3-methylpentan-3-ylamino)methyl]benzenecarboximidamide
CID 106329343
3-chloro-N'-hydroxy-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzenecarboximidamide
CID 102667374
2-[[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-N-propan-2-ylpropanamide
CID 102667428
2-[[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-N-ethyl-N-methylpropanamide
CID 103110690
3-chloro-N'-hydroxy-4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzenecarboximidamide
CID 102667261
3-chloro-N'-hydroxy-4-[(4-hydroxypentylamino)methyl]benzenecarboximidamide
CID 106136322
3-chloro-N'-hydroxy-4-[(2-hydroxyethylamino)methyl]benzenecarboximidamide
CID 102667080
3-chloro-N'-hydroxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzenecarboximidamide
CID 102667250

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide (CID 102667113) is 3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide is CCCC(CC)NCc1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is IPJFLPCRDVRZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-5-12(4-2)17-9-11-7-6-10(8-13(11)15)14(16)18-19/h6-8,12,17,19H,3-5,9H2,1-2H3,(H2,16,18).
What are the key properties of 3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 283.80 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102667113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).