N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine

C17H28BrNS — CID 63452326

IUPACN-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
SMILESBrc1ccc(CNC2CCCCCCCCCCC2)s1
InChIInChI=1S/C17H28BrNS/c18-17-13-12-16(20-17)14-19-15-10-8-6-4-2-1-3-5-7-9-11-15/h12-13,15,19H,1-11,14H2
InChIKeyFSHCJJDHTAPSDF-UHFFFAOYSA-N
MW358.39 g/mol
LogP6.27
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine (PubChem CID 63452326) has the molecular formula C17H28BrNS and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
PubChem CID63452326
Molecular FormulaC17H28BrNS
Molecular Weight358.39 g/mol
Exact Mass357.11
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
SMILESBrc1ccc(CNC2CCCCCCCCCCC2)s1
InChIInChI=1S/C17H28BrNS/c18-17-13-12-16(20-17)14-19-15-10-8-6-4-2-1-3-5-7-9-11-15/h12-13,15,19H,1-11,14H2
InChIKeyFSHCJJDHTAPSDF-UHFFFAOYSA-N
XLogP6.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
CID 103981707
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083500
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234226
2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
CID 61012171
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025222

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine (CID 63452326) is N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine is Brc1ccc(CNC2CCCCCCCCCCC2)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine?
The InChIKey is FSHCJJDHTAPSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNS/c18-17-13-12-16(20-17)14-19-15-10-8-6-4-2-1-3-5-7-9-11-15/h12-13,15,19H,1-11,14H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine?
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine has a molecular weight of 358.39 g/mol, XLogP of 6.27, 3 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]cyclododecanamine is sourced from PubChem (CID 63452326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).