N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C14H25BrN2O — CID 104653819

IUPACN'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)c1ccc(Br)o1
InChIInChI=1S/C14H25BrN2O/c1-5-8-17(10-14(3,4)9-16)11(2)12-6-7-13(15)18-12/h6-7,11H,5,8-10,16H2,1-4H3
InChIKeyONHBZDBWKUGYTE-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.80
Rot. Bonds7

About N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 104653819) has the molecular formula C14H25BrN2O and a molecular weight of 317.27 g/mol. Its IUPAC name is N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID104653819
Molecular FormulaC14H25BrN2O
Molecular Weight317.27 g/mol
Exact Mass316.12
IUPAC NameN'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)c1ccc(Br)o1
InChIInChI=1S/C14H25BrN2O/c1-5-8-17(10-14(3,4)9-16)11(2)12-6-7-13(15)18-12/h6-7,11H,5,8-10,16H2,1-4H3
InChIKeyONHBZDBWKUGYTE-UHFFFAOYSA-N
XLogP3.80
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 104653819) is N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)C(C)c1ccc(Br)o1.
What is the InChIKey of N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is ONHBZDBWKUGYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2O/c1-5-8-17(10-14(3,4)9-16)11(2)12-6-7-13(15)18-12/h6-7,11H,5,8-10,16H2,1-4H3.
What are the key properties of N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 317.27 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 104653819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).