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

C16H24BrNS — CID 81025222

IUPACN-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine
SMILESBrc1ccc(CC2CCCCCC2CNC2CC2)s1
InChIInChI=1S/C16H24BrNS/c17-16-9-8-15(19-16)10-12-4-2-1-3-5-13(12)11-18-14-6-7-14/h8-9,12-14,18H,1-7,10-11H2
InChIKeyPCVVEIUJQKBLHI-UHFFFAOYSA-N
MW342.35 g/mol
LogP5.00
Rot. Bonds5

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

N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine (PubChem CID 81025222) has the molecular formula C16H24BrNS and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine
PubChem CID81025222
Molecular FormulaC16H24BrNS
Molecular Weight342.35 g/mol
Exact Mass341.08
IUPAC NameN-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine
SMILESBrc1ccc(CC2CCCCCC2CNC2CC2)s1
InChIInChI=1S/C16H24BrNS/c17-16-9-8-15(19-16)10-12-4-2-1-3-5-13(12)11-18-14-6-7-14/h8-9,12-14,18H,1-7,10-11H2
InChIKeyPCVVEIUJQKBLHI-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026091
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[[2-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022120
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 81026278
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 81024776
2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
CID 61012171
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 104813879
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]propan-2-amine
CID 81031821
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine
CID 81017241
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 112645575
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine (CID 81025222) is N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine is Brc1ccc(CC2CCCCCC2CNC2CC2)s1.
What is the InChIKey of N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine?
The InChIKey is PCVVEIUJQKBLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNS/c17-16-9-8-15(19-16)10-12-4-2-1-3-5-13(12)11-18-14-6-7-14/h8-9,12-14,18H,1-7,10-11H2.
What are the key properties of N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine?
N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine has a molecular weight of 342.35 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 N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 81025222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).