1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine

C12H18BrNO — CID 84809694

IUPAC1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine
SMILESCCC(CC)c1oc(C2(N)CC2)cc1Br
InChIInChI=1S/C12H18BrNO/c1-3-8(4-2)11-9(13)7-10(15-11)12(14)5-6-12/h7-8H,3-6,14H2,1-2H3
InChIKeyJPZWPGPCEPTDTG-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.89
Rot. Bonds4

About 1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine

1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine (PubChem CID 84809694) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine
PubChem CID84809694
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine
SMILESCCC(CC)c1oc(C2(N)CC2)cc1Br
InChIInChI=1S/C12H18BrNO/c1-3-8(4-2)11-9(13)7-10(15-11)12(14)5-6-12/h7-8H,3-6,14H2,1-2H3
InChIKeyJPZWPGPCEPTDTG-UHFFFAOYSA-N
XLogP3.89
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(4-bromo-5-pentan-3-ylfuran-2-yl)ethanone
CID 83845172
[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117477395
1-(7-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-amine
CID 84815902
1-(5,6-dihydro-4H-cyclopenta[b]furan-2-yl)cyclopropan-1-amine
CID 82415102
2-(4-bromo-5-butan-2-ylfuran-2-yl)ethanamine
CID 83843681
1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol
CID 117455081
1-(4-pentan-3-ylphenyl)cyclopentan-1-amine
CID 117335251
1-(3-methyl-1,2-oxazol-5-yl)cyclopropan-1-amine
CID 82418469
3-propyl-1,2-oxazole-5-carbonitrile;1-(3-propyl-1,2-oxazol-5-yl)cyclopropan-1-amine
CID 158401773
4-bromo-1-ethylcyclohexa-2,4-dien-1-amine
CID 142788268
1-[3-bromo-4,5-bis(methylsulfanyl)phenyl]cyclopropan-1-amine
CID 117489455
(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine
CID 115861563

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine?
The IUPAC name of 1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine (CID 84809694) is 1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine is CCC(CC)c1oc(C2(N)CC2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine?
The InChIKey is JPZWPGPCEPTDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-8(4-2)11-9(13)7-10(15-11)12(14)5-6-12/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine?
1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-pentan-3-ylfuran-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 84809694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).