2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine

C15H24BrNS — CID 63403346

IUPAC2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Cc1cc(Br)cs1
InChIInChI=1S/C15H24BrNS/c1-2-8-17-15-7-5-3-4-6-12(15)9-14-10-13(16)11-18-14/h10-12,15,17H,2-9H2,1H3
InChIKeyLRHJACLQXFRQPJ-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.00
Rot. Bonds5

About 2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine

2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine (PubChem CID 63403346) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
PubChem CID63403346
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Cc1cc(Br)cs1
InChIInChI=1S/C15H24BrNS/c1-2-8-17-15-7-5-3-4-6-12(15)9-14-10-13(16)11-18-14/h10-12,15,17H,2-9H2,1H3
InChIKeyLRHJACLQXFRQPJ-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609628
2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401202
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403222
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221
3-[(4-bromothiophen-2-yl)methyl]-N-ethyloxan-4-amine
CID 106469388
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403329
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine
CID 66255257

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine (CID 63403346) is 2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1Cc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine?
The InChIKey is LRHJACLQXFRQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-2-8-17-15-7-5-3-4-6-12(15)9-14-10-13(16)11-18-14/h10-12,15,17H,2-9H2,1H3.
What are the key properties of 2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine?
2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine has a molecular weight of 330.34 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine is sourced from PubChem (CID 63403346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).