2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide

C15H24ClN3 — CID 62494094

IUPAC2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(CC(C)C)CC(C)C
InChIInChI=1S/C15H24ClN3/c1-10(2)8-19(9-11(3)4)14-6-5-12(16)7-13(14)15(17)18/h5-7,10-11H,8-9H2,1-4H3,(H3,17,18)
InChIKeyTVPAVGAZCSJSIK-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.74
Rot. Bonds6

About 2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide

2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide (PubChem CID 62494094) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
PubChem CID62494094
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(CC(C)C)CC(C)C
InChIInChI=1S/C15H24ClN3/c1-10(2)8-19(9-11(3)4)14-6-5-12(16)7-13(14)15(17)18/h5-7,10-11H,8-9H2,1-4H3,(H3,17,18)
InChIKeyTVPAVGAZCSJSIK-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

4-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 55180610
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978649
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-5-chlorobenzoic acid
CID 55009627
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 62494113
5-chloro-2-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 62494273
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide (CID 62494094) is 2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(CC(C)C)CC(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide?
The InChIKey is TVPAVGAZCSJSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-10(2)8-19(9-11(3)4)14-6-5-12(16)7-13(14)15(17)18/h5-7,10-11H,8-9H2,1-4H3,(H3,17,18).
What are the key properties of 2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide?
2-[bis(2-methylpropyl)amino]-5-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 2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide is sourced from PubChem (CID 62494094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).