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

C11H16BrNO — CID 63942450

IUPACN-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1occc1Br)C1CC1
InChIInChI=1S/C11H16BrNO/c1-2-6-13-10(8-3-4-8)11-9(12)5-7-14-11/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyZMKAYLPSITVBOX-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.49
Rot. Bonds5

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

N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine (PubChem CID 63942450) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine
PubChem CID63942450
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1occc1Br)C1CC1
InChIInChI=1S/C11H16BrNO/c1-2-6-13-10(8-3-4-8)11-9(12)5-7-14-11/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyZMKAYLPSITVBOX-UHFFFAOYSA-N
XLogP3.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65393949
1-(3-bromofuran-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 64987211
[(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methyl]hydrazine
CID 105232797
N-[7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methyl]ethanamine
CID 115861255
[(3-bromofuran-2-yl)-cyclobutylmethyl]hydrazine
CID 105224577
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107946084
1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
CID 116660927
1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115861250
N-[(3-bromofuran-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097362
N-[(3-bromofuran-2-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 116769675
(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine
CID 63942648

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine (CID 63942450) is N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine is CCCNC(c1occc1Br)C1CC1.
What is the InChIKey of N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine?
The InChIKey is ZMKAYLPSITVBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-2-6-13-10(8-3-4-8)11-9(12)5-7-14-11/h5,7-8,10,13H,2-4,6H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine?
N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine is sourced from PubChem (CID 63942450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).