N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine

C13H20BrNO — CID 81033199

IUPACN-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1occc1Br
InChIInChI=1S/C13H20BrNO/c1-2-7-15-9-10-4-3-5-11(10)13-12(14)6-8-16-13/h6,8,10-11,15H,2-5,7,9H2,1H3
InChIKeyCBQPYZZCZHFZSC-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.93
Rot. Bonds5

About N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine

N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine (PubChem CID 81033199) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine
PubChem CID81033199
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1c1occc1Br
InChIInChI=1S/C13H20BrNO/c1-2-7-15-9-10-4-3-5-11(10)13-12(14)6-8-16-13/h6,8,10-11,15H,2-5,7,9H2,1H3
InChIKeyCBQPYZZCZHFZSC-UHFFFAOYSA-N
XLogP3.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 81032684
N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029161
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[[2-(4-bromo-1-methylpyrazol-5-yl)cyclopentyl]methyl]propan-1-amine
CID 114667130
2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine
CID 63942073
N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine
CID 81033039
N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 106889346
N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine
CID 106889430
N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032438
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
N-[(2-naphthalen-1-ylcyclopentyl)methyl]propan-1-amine
CID 81033533
N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81027905

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine (CID 81033199) is N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1c1occc1Br.
What is the InChIKey of N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is CBQPYZZCZHFZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-2-7-15-9-10-4-3-5-11(10)13-12(14)6-8-16-13/h6,8,10-11,15H,2-5,7,9H2,1H3.
What are the key properties of N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81033199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).