1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine

C10H17BrN2O — CID 115346309

IUPAC1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1occc1Br
InChIInChI=1S/C10H17BrN2O/c1-12-9(4-6-13(2)3)10-8(11)5-7-14-10/h5,7,9,12H,4,6H2,1-3H3
InChIKeyBPZKRIVPYBFVCJ-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.25
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine

1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine (PubChem CID 115346309) has the molecular formula C10H17BrN2O and a molecular weight of 261.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
PubChem CID115346309
Molecular FormulaC10H17BrN2O
Molecular Weight261.16 g/mol
Exact Mass260.05
IUPAC Name1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
SMILESCNC(CCN(C)C)c1occc1Br
InChIInChI=1S/C10H17BrN2O/c1-12-9(4-6-13(2)3)10-8(11)5-7-14-10/h5,7,9,12H,4,6H2,1-3H3
InChIKeyBPZKRIVPYBFVCJ-UHFFFAOYSA-N
XLogP2.25
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 63943232
1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105150536
1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115861332
1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072018
1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103986906
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
CID 115861224
1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 63943419
1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106885776
1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070216
1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 106885701
1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105150465
1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79055906

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine (CID 115346309) is 1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine is CNC(CCN(C)C)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine?
The InChIKey is BPZKRIVPYBFVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O/c1-12-9(4-6-13(2)3)10-8(11)5-7-14-10/h5,7,9,12H,4,6H2,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine?
1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine has a molecular weight of 261.16 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115346309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).