N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine

C13H20BrNO — CID 115705100

IUPACN-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1occc1Br
InChIInChI=1S/C13H20BrNO/c1-10(13-12(14)8-9-16-13)15-11-6-4-2-3-5-7-11/h8-11,15H,2-7H2,1H3
InChIKeyMLVUWDOMAGBFFV-UHFFFAOYSA-N
MW286.21 g/mol
LogP4.42
Rot. Bonds3

About N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine

N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine (PubChem CID 115705100) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine
PubChem CID115705100
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine
SMILESCC(NC1CCCCCC1)c1occc1Br
InChIInChI=1S/C13H20BrNO/c1-10(13-12(14)8-9-16-13)15-11-6-4-2-3-5-7-11/h8-11,15H,2-7H2,1H3
InChIKeyMLVUWDOMAGBFFV-UHFFFAOYSA-N
XLogP4.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine
CID 115710275
1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
CID 115712391
1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 115708188
[1-(3-bromofuran-2-yl)-2-cyclopropylpropyl]hydrazine
CID 105309088
N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
1-(3-bromofuran-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 64987211
(1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine
CID 97321709
N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704758
N-[1-(3-bromofuran-2-yl)ethyl]-1-(furan-3-yl)ethanamine
CID 115894694
[(3-bromofuran-2-yl)-cyclobutylmethyl]hydrazine
CID 105224577
N-(1-phenylethyl)cyclododecanamine
CID 60662638

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine (CID 115705100) is N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine is CC(NC1CCCCCC1)c1occc1Br.
What is the InChIKey of N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine?
The InChIKey is MLVUWDOMAGBFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-10(13-12(14)8-9-16-13)15-11-6-4-2-3-5-7-11/h8-11,15H,2-7H2,1H3.
What are the key properties of N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine?
N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine has a molecular weight of 286.21 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 115705100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).