N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide

C11H18BrN5 — CID 162440170

IUPACN,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide
SMILESCN(C)CC/C(=N/N)N(N)c1ccc(Br)cc1
InChIInChI=1S/C11H18BrN5/c1-16(2)8-7-11(15-13)17(14)10-5-3-9(12)4-6-10/h3-6H,7-8,13-14H2,1-2H3/b15-11-
InChIKeyYTGMGKLEBDKGQE-PTNGSMBKSA-N
MW300.20 g/mol
LogP1.35
Rot. Bonds4

About N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide

N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide (PubChem CID 162440170) has the molecular formula C11H18BrN5 and a molecular weight of 300.20 g/mol. Its IUPAC name is N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide.

Molecular Properties

Compound NameN,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide
PubChem CID162440170
Molecular FormulaC11H18BrN5
Molecular Weight300.20 g/mol
Exact Mass299.07
IUPAC NameN,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide
SMILESCN(C)CC/C(=N/N)N(N)c1ccc(Br)cc1
InChIInChI=1S/C11H18BrN5/c1-16(2)8-7-11(15-13)17(14)10-5-3-9(12)4-6-10/h3-6H,7-8,13-14H2,1-2H3/b15-11-
InChIKeyYTGMGKLEBDKGQE-PTNGSMBKSA-N
XLogP1.35
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide?
The IUPAC name of N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide (CID 162440170) is N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide.
What is the SMILES notation for N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide?
The canonical SMILES for N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide is CN(C)CC/C(=N/N)N(N)c1ccc(Br)cc1.
What is the InChIKey of N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide?
The InChIKey is YTGMGKLEBDKGQE-PTNGSMBKSA-N. The full InChI is InChI=1S/C11H18BrN5/c1-16(2)8-7-11(15-13)17(14)10-5-3-9(12)4-6-10/h3-6H,7-8,13-14H2,1-2H3/b15-11-.
What are the key properties of N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide?
N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide has a molecular weight of 300.20 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-N-(4-bromophenyl)-3-(dimethylamino)propanimidamide is sourced from PubChem (CID 162440170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).