N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine

C10H17BrN2O — CID 104652736

IUPACN'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine
SMILESCC(NCCCCN)c1ccc(Br)o1
InChIInChI=1S/C10H17BrN2O/c1-8(13-7-3-2-6-12)9-4-5-10(11)14-9/h4-5,8,13H,2-3,6-7,12H2,1H3
InChIKeyGALYAERCAQHCCF-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.43
Rot. Bonds6

About N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine

N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine (PubChem CID 104652736) has the molecular formula C10H17BrN2O and a molecular weight of 261.16 g/mol. Its IUPAC name is N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine
PubChem CID104652736
Molecular FormulaC10H17BrN2O
Molecular Weight261.16 g/mol
Exact Mass260.05
IUPAC NameN'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine
SMILESCC(NCCCCN)c1ccc(Br)o1
InChIInChI=1S/C10H17BrN2O/c1-8(13-7-3-2-6-12)9-4-5-10(11)14-9/h4-5,8,13H,2-3,6-7,12H2,1H3
InChIKeyGALYAERCAQHCCF-UHFFFAOYSA-N
XLogP2.43
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]but-3-yn-1-amine
CID 104653023
N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 113437435
N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972
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
1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114465820
4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 107093913
N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104653000
1-(5-bromofuran-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 104653041
5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol
CID 107316996
N-[1-(5-bromofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 107094355
1-(5-bromofuran-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 104653002

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine?
The IUPAC name of N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine (CID 104652736) is N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine.
What is the SMILES notation for N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine?
The canonical SMILES for N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine is CC(NCCCCN)c1ccc(Br)o1.
What is the InChIKey of N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine?
The InChIKey is GALYAERCAQHCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O/c1-8(13-7-3-2-6-12)9-4-5-10(11)14-9/h4-5,8,13H,2-3,6-7,12H2,1H3.
What are the key properties of N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine?
N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine has a molecular weight of 261.16 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 104652736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).