N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine

C12H18BrNS — CID 62531192

IUPACN-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Cc1ccc(Br)s1
InChIInChI=1S/C12H18BrNS/c1-2-9(8-14-10-3-4-10)7-11-5-6-12(13)15-11/h5-6,9-10,14H,2-4,7-8H2,1H3
InChIKeyKQLOWHMJXKHXQW-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.83
Rot. Bonds6

About N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine

N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine (PubChem CID 62531192) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine
PubChem CID62531192
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC NameN-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Cc1ccc(Br)s1
InChIInChI=1S/C12H18BrNS/c1-2-9(8-14-10-3-4-10)7-11-5-6-12(13)15-11/h5-6,9-10,14H,2-4,7-8H2,1H3
InChIKeyKQLOWHMJXKHXQW-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine
CID 63521195
N-[1-(5-bromothiophen-2-yl)propan-2-yl]cyclopropanamine
CID 82484308
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79440980
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
CID 62531188
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985
N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023040
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine
CID 114899203
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine
CID 63523373

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine (CID 62531192) is N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine is CCC(CNC1CC1)Cc1ccc(Br)s1.
What is the InChIKey of N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine?
The InChIKey is KQLOWHMJXKHXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-2-9(8-14-10-3-4-10)7-11-5-6-12(13)15-11/h5-6,9-10,14H,2-4,7-8H2,1H3.
What are the key properties of N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine?
N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine has a molecular weight of 288.25 g/mol, XLogP of 3.83, 6 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)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 62531192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).