2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

C15H25BrN4OS — CID 110038113

IUPAC2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C15H25BrN4OS/c1-6-11(2)18-15(17-9-14(21)19(3)4)20(5)10-12-7-8-13(16)22-12/h7-8,11H,6,9-10H2,1-5H3,(H,17,18)
InChIKeyJAJMPAYLIFNSCV-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.77
Rot. Bonds6

About 2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110038113) has the molecular formula C15H25BrN4OS and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110038113
Molecular FormulaC15H25BrN4OS
Molecular Weight389.36 g/mol
Exact Mass388.09
IUPAC Name2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C15H25BrN4OS/c1-6-11(2)18-15(17-9-14(21)19(3)4)20(5)10-12-7-8-13(16)22-12/h7-8,11H,6,9-10H2,1-5H3,(H,17,18)
InChIKeyJAJMPAYLIFNSCV-UHFFFAOYSA-N
XLogP2.77
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111363462
2-[[[benzyl(methyl)amino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111492665
2-[[(butan-2-ylamino)-[methyl(2-thiophen-2-ylethyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110044385
2-[[(butan-2-ylamino)-[(2-chlorophenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110037725
2-[[(butan-2-ylamino)-[methyl(2-thiophen-2-ylethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044384
2-[[(butan-2-ylamino)-[(4-ethoxyphenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037608
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
2-[[(butan-2-ylamino)-[2-(2-fluorophenoxy)ethyl-methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110038523
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801

Frequently Asked Questions

What is the IUPAC name of 2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110038113) is 2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is CCC(C)N/C(=N\CC(=O)N(C)C)N(C)Cc1ccc(Br)s1.
What is the InChIKey of 2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is JAJMPAYLIFNSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4OS/c1-6-11(2)18-15(17-9-14(21)19(3)4)20(5)10-12-7-8-13(16)22-12/h7-8,11H,6,9-10H2,1-5H3,(H,17,18).
What are the key properties of 2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 389.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(5-bromothiophen-2-yl)methyl-methylamino]-(butan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110038113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).