N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine

C12H18BrNO — CID 62712454

IUPACN-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC1c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO/c1-8(2)6-14-7-9-5-10(9)11-3-4-12(13)15-11/h3-4,8-10,14H,5-7H2,1-2H3
InChIKeyUBHNNKIRVULLTN-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.39
Rot. Bonds5

About N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 62712454) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID62712454
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC NameN-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC1c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO/c1-8(2)6-14-7-9-5-10(9)11-3-4-12(13)15-11/h3-4,8-10,14H,5-7H2,1-2H3
InChIKeyUBHNNKIRVULLTN-UHFFFAOYSA-N
XLogP3.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 62712454) is N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CC1c1ccc(Br)o1.
What is the InChIKey of N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is UBHNNKIRVULLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8(2)6-14-7-9-5-10(9)11-3-4-12(13)15-11/h3-4,8-10,14H,5-7H2,1-2H3.
What are the key properties of N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62712454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).