N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide

C10H14BrN3 — CID 61363467

IUPACN-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\NN)c1ccccc1Br
InChIInChI=1S/C10H14BrN3/c1-7(2)13-10(14-12)8-5-3-4-6-9(8)11/h3-7H,12H2,1-2H3,(H,13,14)
InChIKeyDIFHRGUEZLKYGD-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.07
Rot. Bonds2

About N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide

N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 61363467) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide
PubChem CID61363467
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC NameN-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\NN)c1ccccc1Br
InChIInChI=1S/C10H14BrN3/c1-7(2)13-10(14-12)8-5-3-4-6-9(8)11/h3-7H,12H2,1-2H3,(H,13,14)
InChIKeyDIFHRGUEZLKYGD-UHFFFAOYSA-N
XLogP2.07
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N'-propan-2-ylbenzenecarboximidamide
CID 63181654
N-amino-3,5-dibromo-N'-propan-2-ylbenzenecarboximidamide
CID 107974585
N-amino-3-bromo-4-methyl-N'-propan-2-ylbenzenecarboximidamide
CID 81475845
2-bromo-N'-hydrazinylbenzenecarboximidamide
CID 130383034
N-amino-3-bromo-2-fluoro-N'-phenylbenzenecarboximidamide
CID 107957920
N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide
CID 145320923
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
N-amino-4-fluoro-3-methyl-N'-propan-2-ylbenzenecarboximidamide
CID 63211731
N-(4-aminobutan-2-yl)-2-bromobenzamide
CID 139298037
1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one
CID 135007088
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide
CID 61361700

Frequently Asked Questions

What is the IUPAC name of N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide (CID 61363467) is N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide is CC(C)/N=C(\NN)c1ccccc1Br.
What is the InChIKey of N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is DIFHRGUEZLKYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-7(2)13-10(14-12)8-5-3-4-6-9(8)11/h3-7H,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide?
N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 256.15 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-bromo-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 61363467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).