N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine

C15H24BrNS — CID 65091163

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCc2ccc(Br)s2)CC1
InChIInChI=1S/C15H24BrNS/c1-2-4-12-5-3-6-13(8-7-12)17-11-14-9-10-15(16)18-14/h9-10,12-13,17H,2-8,11H2,1H3
InChIKeyCODILSRLKJDPQT-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.35
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine (PubChem CID 65091163) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
PubChem CID65091163
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCc2ccc(Br)s2)CC1
InChIInChI=1S/C15H24BrNS/c1-2-4-12-5-3-6-13(8-7-12)17-11-14-9-10-15(16)18-14/h9-10,12-13,17H,2-8,11H2,1H3
InChIKeyCODILSRLKJDPQT-UHFFFAOYSA-N
XLogP5.35
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 ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64501545
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083500
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine
CID 65091166
N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
CID 103981707
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026091
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 43298343
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234226
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine (CID 65091163) is N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(NCc2ccc(Br)s2)CC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine?
The InChIKey is CODILSRLKJDPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-2-4-12-5-3-6-13(8-7-12)17-11-14-9-10-15(16)18-14/h9-10,12-13,17H,2-8,11H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine has a molecular weight of 330.34 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65091163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).