3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide

C14H20ClN3 — CID 102667749

IUPAC3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3/c1-18(12-4-2-3-5-12)9-11-7-6-10(14(16)17)8-13(11)15/h6-8,12H,2-5,9H2,1H3,(H3,16,17)
InChIKeyUOHMEFMFPJAAAI-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.00
Rot. Bonds4

About 3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide

3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide (PubChem CID 102667749) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide
PubChem CID102667749
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3/c1-18(12-4-2-3-5-12)9-11-7-6-10(14(16)17)8-13(11)15/h6-8,12H,2-5,9H2,1H3,(H3,16,17)
InChIKeyUOHMEFMFPJAAAI-UHFFFAOYSA-N
XLogP3.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667744
4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
CID 43614126
3-chloro-4-[[cyclobutyl(methyl)amino]methyl]benzoic acid
CID 102670029
3-chloro-4-[[cyclopropyl(methyl)amino]methyl]benzenecarbothioamide
CID 102666037
3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 102667814
4-[[butyl(methyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667717
3-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzenecarboximidamide
CID 102668007
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide
CID 114483486
3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 62547662
3-chloro-4-(hydroxymethyl)benzenecarboximidamide
CID 102668142
3-chloro-4-(2-cyclobutylethoxymethyl)benzenecarboximidamide
CID 106202147
3-chloro-4-[(4-methoxy-N-methylanilino)methyl]benzenecarboximidamide
CID 102667882

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide (CID 102667749) is 3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)C2CCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide?
The InChIKey is UOHMEFMFPJAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-18(12-4-2-3-5-12)9-11-7-6-10(14(16)17)8-13(11)15/h6-8,12H,2-5,9H2,1H3,(H3,16,17).
What are the key properties of 3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide?
3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide has a molecular weight of 265.79 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 102667749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).