3-bromo-N'-propylbenzenecarboximidamide

C10H13BrN2 — CID 62049964

IUPAC3-bromo-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1cccc(Br)c1
InChIInChI=1S/C10H13BrN2/c1-2-6-13-10(12)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3,(H2,12,13)
InChIKeyPQEKASBPDTZACA-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.56
Rot. Bonds3

About 3-bromo-N'-propylbenzenecarboximidamide

3-bromo-N'-propylbenzenecarboximidamide (PubChem CID 62049964) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-bromo-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-propylbenzenecarboximidamide
PubChem CID62049964
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name3-bromo-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1cccc(Br)c1
InChIInChI=1S/C10H13BrN2/c1-2-6-13-10(12)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3,(H2,12,13)
InChIKeyPQEKASBPDTZACA-UHFFFAOYSA-N
XLogP2.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

N'-amino-3-bromobenzenecarboximidamide
CID 83534045
3-bromo-N'-propan-2-ylbenzenecarboximidamide
CID 62049372
3-bromo-N'-propan-2-yloxybenzenecarboximidamide
CID 82482830
3,5-dichloro-N'-propylbenzenecarboximidamide
CID 107918187
2-(N'-propylcarbamimidoyl)benzamide
CID 142215116
1-(3-bromophenyl)butan-1-one
CID 18417701
N'-[(3-bromophenyl)methyl]propanimidamide
CID 63177432
3-(3-bromophenyl)but-2-en-1-ol
CID 67536690
bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride
CID 175111806
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
[[amino-(3-bromophenyl)methylidene]amino] 3,5-dimethoxybenzoate
CID 4618760
2-(3-bromophenyl)-N'-methylethanimidamide
CID 63181979

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-propylbenzenecarboximidamide?
The IUPAC name of 3-bromo-N'-propylbenzenecarboximidamide (CID 62049964) is 3-bromo-N'-propylbenzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-propylbenzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-propylbenzenecarboximidamide is CCC/N=C(\N)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N'-propylbenzenecarboximidamide?
The InChIKey is PQEKASBPDTZACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-2-6-13-10(12)8-4-3-5-9(11)7-8/h3-5,7H,2,6H2,1H3,(H2,12,13).
What are the key properties of 3-bromo-N'-propylbenzenecarboximidamide?
3-bromo-N'-propylbenzenecarboximidamide has a molecular weight of 241.13 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 62049964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).