1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine

C13H21BrN2O — CID 79066055

IUPAC1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)c2occc2Br)CCCCC1
InChIInChI=1S/C13H21BrN2O/c1-16(2)13(7-4-3-5-8-13)12(15)11-10(14)6-9-17-11/h6,9,12H,3-5,7-8,15H2,1-2H3
InChIKeyZRFRXJYNNLQGIL-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.31
Rot. Bonds3

About 1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066055) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066055
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)c2occc2Br)CCCCC1
InChIInChI=1S/C13H21BrN2O/c1-16(2)13(7-4-3-5-8-13)12(15)11-10(14)6-9-17-11/h6,9,12H,3-5,7-8,15H2,1-2H3
InChIKeyZRFRXJYNNLQGIL-UHFFFAOYSA-N
XLogP3.31
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79066055) is 1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)c2occc2Br)CCCCC1.
What is the InChIKey of 1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is ZRFRXJYNNLQGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-16(2)13(7-4-3-5-8-13)12(15)11-10(14)6-9-17-11/h6,9,12H,3-5,7-8,15H2,1-2H3.
What are the key properties of 1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 301.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).