4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide

C14H20BrN3 — CID 114904512

IUPAC4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N(CC(C)C)C1CC1
InChIInChI=1S/C14H20BrN3/c1-9(2)8-18(11-4-5-11)13-7-10(15)3-6-12(13)14(16)17/h3,6-7,9,11H,4-5,8H2,1-2H3,(H3,16,17)
InChIKeyGEUDCAMMCLVRMN-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.36
Rot. Bonds5

About 4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide

4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide (PubChem CID 114904512) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide
PubChem CID114904512
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1N(CC(C)C)C1CC1
InChIInChI=1S/C14H20BrN3/c1-9(2)8-18(11-4-5-11)13-7-10(15)3-6-12(13)14(16)17/h3,6-7,9,11H,4-5,8H2,1-2H3,(H3,16,17)
InChIKeyGEUDCAMMCLVRMN-UHFFFAOYSA-N
XLogP3.36
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.36
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

2-bromo-4-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzenecarboximidamide
CID 107536413
4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide
CID 81279187
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 55001986
4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 114904389
5-bromo-2-[cyclopentyl(2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892619
4-chloro-2-[cyclopropyl(ethyl)amino]benzenecarboximidamide
CID 63093350
4-bromo-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 114904511
5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 114892967
4-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-nitroaniline
CID 63463503
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 63553418
2-[cyclopropyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62703034
4-bromo-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496258

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide?
The IUPAC name of 4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide (CID 114904512) is 4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1N(CC(C)C)C1CC1.
What is the InChIKey of 4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide?
The InChIKey is GEUDCAMMCLVRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-9(2)8-18(11-4-5-11)13-7-10(15)3-6-12(13)14(16)17/h3,6-7,9,11H,4-5,8H2,1-2H3,(H3,16,17).
What are the key properties of 4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide?
4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide has a molecular weight of 310.24 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[cyclopropyl(2-methylpropyl)amino]benzenecarboximidamide is sourced from PubChem (CID 114904512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).