2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine

C13H21BrN2O — CID 106885981

IUPAC2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCN(Cc1occc1Br)C1CCCCC1CN
InChIInChI=1S/C13H21BrN2O/c1-16(9-13-11(14)6-7-17-13)12-5-3-2-4-10(12)8-15/h6-7,10,12H,2-5,8-9,15H2,1H3
InChIKeyAAQLJOJYFXIFJU-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.99
Rot. Bonds4

About 2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine

2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 106885981) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID106885981
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCN(Cc1occc1Br)C1CCCCC1CN
InChIInChI=1S/C13H21BrN2O/c1-16(9-13-11(14)6-7-17-13)12-5-3-2-4-10(12)8-15/h6-7,10,12H,2-5,8-9,15H2,1H3
InChIKeyAAQLJOJYFXIFJU-UHFFFAOYSA-N
XLogP2.99
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine (CID 106885981) is 2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine is CN(Cc1occc1Br)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is AAQLJOJYFXIFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-16(9-13-11(14)6-7-17-13)12-5-3-2-4-10(12)8-15/h6-7,10,12H,2-5,8-9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine?
2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 301.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 106885981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).