2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide

C13H18Cl2N2 — CID 67215168

IUPAC2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide
SMILES[H]/N=C(/c1c(Cl)cccc1Cl)N(C(C)C)C(C)C
InChIInChI=1S/C13H18Cl2N2/c1-8(2)17(9(3)4)13(16)12-10(14)6-5-7-11(12)15/h5-9,16H,1-4H3/b16-13-
InChIKeyUHTSOONLQGXKKR-SSZFMOIBSA-N
MW273.21 g/mol
LogP4.44
Rot. Bonds3

About 2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide

2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide (PubChem CID 67215168) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide
PubChem CID67215168
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide
SMILES[H]/N=C(/c1c(Cl)cccc1Cl)N(C(C)C)C(C)C
InChIInChI=1S/C13H18Cl2N2/c1-8(2)17(9(3)4)13(16)12-10(14)6-5-7-11(12)15/h5-9,16H,1-4H3/b16-13-
InChIKeyUHTSOONLQGXKKR-SSZFMOIBSA-N
XLogP4.44
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethanimidoyl-N,N-di(propan-2-yl)benzenecarboximidamide
CID 162277970
2-chloro-6-(propan-2-ylamino)benzenecarboximidamide
CID 62497171
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552204
3-(2,6-dichlorophenyl)-1,1-di(propan-2-yl)urea
CID 4674154
N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
CID 903787
2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 106836145
(2,6-dimethylphenyl) N,N-di(propan-2-yl)carbamimidate;vanadium
CID 175895057
2-chloro-6-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 55079559
2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
CID 62496666
2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide
CID 63179561

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide?
The IUPAC name of 2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide (CID 67215168) is 2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide.
What is the SMILES notation for 2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide?
The canonical SMILES for 2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide is [H]/N=C(/c1c(Cl)cccc1Cl)N(C(C)C)C(C)C.
What is the InChIKey of 2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide?
The InChIKey is UHTSOONLQGXKKR-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-8(2)17(9(3)4)13(16)12-10(14)6-5-7-11(12)15/h5-9,16H,1-4H3/b16-13-.
What are the key properties of 2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide?
2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide has a molecular weight of 273.21 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N,N-di(propan-2-yl)benzenecarboximidamide is sourced from PubChem (CID 67215168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).