N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C14H25BrN2O — CID 113437435

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(NCCN(C(C)C)C(C)C)c1ccc(Br)o1
InChIInChI=1S/C14H25BrN2O/c1-10(2)17(11(3)4)9-8-16-12(5)13-6-7-14(15)18-13/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyMFWSJEMCDLHZTF-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.81
Rot. Bonds7

About N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 113437435) 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]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID113437435
Molecular FormulaC14H25BrN2O
Molecular Weight317.27 g/mol
Exact Mass316.12
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(NCCN(C(C)C)C(C)C)c1ccc(Br)o1
InChIInChI=1S/C14H25BrN2O/c1-10(2)17(11(3)4)9-8-16-12(5)13-6-7-14(15)18-13/h6-7,10-12,16H,8-9H2,1-5H3
InChIKeyMFWSJEMCDLHZTF-UHFFFAOYSA-N
XLogP3.81
TPSA28.41 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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104653000
N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine
CID 104652736
N-[1-(5-bromofuran-2-yl)ethyl]but-3-yn-1-amine
CID 104653023
N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972
1-N-[1-(5-bromofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104652133
4-[[1-(5-bromofuran-2-yl)ethylamino]methyl]phenol
CID 114331426
3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 104653257
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 114615383
4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 107093913
1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114465820
1-(5-bromofuran-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 104653041
N-[1-(4-methylphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43191140

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 113437435) is N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(NCCN(C(C)C)C(C)C)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is MFWSJEMCDLHZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2O/c1-10(2)17(11(3)4)9-8-16-12(5)13-6-7-14(15)18-13/h6-7,10-12,16H,8-9H2,1-5H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 317.27 g/mol, XLogP of 3.81, 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]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 113437435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).