N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine

C13H18BrNS — CID 79338918

IUPACN-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(=Cc1ccc(Br)s1)CNC1CC1
InChIInChI=1S/C13H18BrNS/c1-9(2)10(8-15-11-3-4-11)7-12-5-6-13(14)16-12/h5-7,9,11,15H,3-4,8H2,1-2H3
InChIKeyDPNUNLOMJPQZBC-UHFFFAOYSA-N
MW300.27 g/mol
LogP4.30
Rot. Bonds5

About N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine

N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine (PubChem CID 79338918) has the molecular formula C13H18BrNS and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine
PubChem CID79338918
Molecular FormulaC13H18BrNS
Molecular Weight300.27 g/mol
Exact Mass299.03
IUPAC NameN-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(=Cc1ccc(Br)s1)CNC1CC1
InChIInChI=1S/C13H18BrNS/c1-9(2)10(8-15-11-3-4-11)7-12-5-6-13(14)16-12/h5-7,9,11,15H,3-4,8H2,1-2H3
InChIKeyDPNUNLOMJPQZBC-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromothiophen-2-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339930
N-[(2Z)-2-[(3-bromo-4-chlorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 83241300
N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine
CID 79339556
N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338744
N-[2-[[4-(methoxymethyl)phenyl]methylidene]-3-methylbutyl]cyclopropanamine
CID 79338561
N-[3-methyl-2-[(3,4,5-trifluorophenyl)methylidene]butyl]cyclopropanamine
CID 79339196
N-[2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79339736
N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-(cyclopropylamino)acetamide
CID 115158596
N-[1-(5-bromothiophen-2-yl)propan-2-yl]cyclopropanamine
CID 82484308
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79339819
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-3-methylbutyl]cyclopropanamine
CID 79342430
N-[(2Z)-2-(isoquinolin-4-ylmethylidene)-3-methylbutyl]cyclopropanamine
CID 104505397

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine (CID 79338918) is N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine is CC(C)C(=Cc1ccc(Br)s1)CNC1CC1.
What is the InChIKey of N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine?
The InChIKey is DPNUNLOMJPQZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNS/c1-9(2)10(8-15-11-3-4-11)7-12-5-6-13(14)16-12/h5-7,9,11,15H,3-4,8H2,1-2H3.
What are the key properties of N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine?
N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine has a molecular weight of 300.27 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromothiophen-2-yl)methylidene]-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 79338918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).