1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine

C11H19BrN2O — CID 115717044

IUPAC1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(NCC(C)N(C)C)c1occc1Br
InChIInChI=1S/C11H19BrN2O/c1-8(14(3)4)7-13-9(2)11-10(12)5-6-15-11/h5-6,8-9,13H,7H2,1-4H3
InChIKeyPTLVTMKEADIBPP-UHFFFAOYSA-N
MW275.19 g/mol
LogP2.64
Rot. Bonds5

About 1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 115717044) has the molecular formula C11H19BrN2O and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID115717044
Molecular FormulaC11H19BrN2O
Molecular Weight275.19 g/mol
Exact Mass274.07
IUPAC Name1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(NCC(C)N(C)C)c1occc1Br
InChIInChI=1S/C11H19BrN2O/c1-8(14(3)4)7-13-9(2)11-10(12)5-6-15-11/h5-6,8-9,13H,7H2,1-4H3
InChIKeyPTLVTMKEADIBPP-UHFFFAOYSA-N
XLogP2.64
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
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2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol
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1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106885776
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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 115717044) is 1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine is CC(NCC(C)N(C)C)c1occc1Br.
What is the InChIKey of 1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is PTLVTMKEADIBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O/c1-8(14(3)4)7-13-9(2)11-10(12)5-6-15-11/h5-6,8-9,13H,7H2,1-4H3.
What are the key properties of 1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 275.19 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115717044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).