4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide

C15H24ClN3 — CID 55152073

IUPAC4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC(C)C)CC(C)C)cc1Cl
InChIInChI=1S/C15H24ClN3/c1-10(2)8-19(9-11(3)4)12-5-6-13(15(17)18)14(16)7-12/h5-7,10-11H,8-9H2,1-4H3,(H3,17,18)
InChIKeyBZPWLFCEYVVTAR-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.74
Rot. Bonds6

About 4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide

4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide (PubChem CID 55152073) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
PubChem CID55152073
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC(C)C)CC(C)C)cc1Cl
InChIInChI=1S/C15H24ClN3/c1-10(2)8-19(9-11(3)4)12-5-6-13(15(17)18)14(16)7-12/h5-7,10-11H,8-9H2,1-4H3,(H3,17,18)
InChIKeyBZPWLFCEYVVTAR-UHFFFAOYSA-N
XLogP3.74
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.74
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

2-chloro-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 62947687
2-chloro-4-[propan-2-yl(propyl)amino]benzenecarboximidamide
CID 62947689
2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387648
2-chloro-4-[3-hydroxybutyl(methyl)amino]benzenecarboximidamide
CID 113499629
2-chloro-4-[cyclopropylmethyl(ethyl)amino]benzenecarboximidamide
CID 63955794
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 62948368
2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
CID 62494094
2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
CID 62947859
2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide
CID 82950924
2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide
CID 107279228
2-chloro-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 107480241
2-chloro-4-[(2-hydroxy-2-methylpropyl)-methylamino]benzenecarboximidamide
CID 79387914

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide?
The IUPAC name of 4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide (CID 55152073) is 4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide?
The canonical SMILES for 4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CC(C)C)CC(C)C)cc1Cl.
What is the InChIKey of 4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide?
The InChIKey is BZPWLFCEYVVTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-10(2)8-19(9-11(3)4)12-5-6-13(15(17)18)14(16)7-12/h5-7,10-11H,8-9H2,1-4H3,(H3,17,18).
What are the key properties of 4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide?
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide has a molecular weight of 281.83 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide is sourced from PubChem (CID 55152073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).