3-bromo-N'-propan-2-ylbenzenecarboximidamide

C10H13BrN2 — CID 62049372

IUPAC3-bromo-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1cccc(Br)c1
InChIInChI=1S/C10H13BrN2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13)
InChIKeyMJUBJJNMFKQVRR-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.56
Rot. Bonds2

About 3-bromo-N'-propan-2-ylbenzenecarboximidamide

3-bromo-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 62049372) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-bromo-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-propan-2-ylbenzenecarboximidamide
PubChem CID62049372
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name3-bromo-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1cccc(Br)c1
InChIInChI=1S/C10H13BrN2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13)
InChIKeyMJUBJJNMFKQVRR-UHFFFAOYSA-N
XLogP2.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.56
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-bromo-N'-propan-2-yloxybenzenecarboximidamide
CID 82482830
N'-amino-3-bromobenzenecarboximidamide
CID 83534045
3-bromo-N'-propylbenzenecarboximidamide
CID 62049964
N'-propan-2-yl-3-[4-[3-(N'-propan-2-ylcarbamimidoyl)phenoxy]butoxy]benzenecarboximidamide;dihydrochloride
CID 90664305
4-amino-3-[[2-amino-5-(N'-propan-2-ylcarbamimidoyl)phenyl]disulfanyl]-N'-propan-2-ylbenzenecarboximidamide
CID 102026983
3,5-dichloro-N'-propan-2-ylbenzenecarboximidamide
CID 107918188
3-amino-1-(3-bromophenyl)butan-1-one
CID 81462573
2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-propan-2-yliminoacetamide
CID 155176944
N'-propan-2-yl-3-[1-[3-(N'-propan-2-ylcarbamimidoyl)phenyl]triazol-4-yl]benzenecarboximidamide;dihydrochloride
CID 44627097
N'-[(3-bromophenyl)-hydroxymethyl]-2-methylpropanimidamide
CID 174010487
[[amino-(3-bromophenyl)methylidene]amino] 3,5-dimethoxybenzoate
CID 4618760
[(Z)-[amino(phenyl)methylidene]amino] 3-bromobenzoate
CID 5332729

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of 3-bromo-N'-propan-2-ylbenzenecarboximidamide (CID 62049372) is 3-bromo-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-propan-2-ylbenzenecarboximidamide is CC(C)/N=C(\N)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is MJUBJJNMFKQVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H2,12,13).
What are the key properties of 3-bromo-N'-propan-2-ylbenzenecarboximidamide?
3-bromo-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 241.13 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 62049372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).