N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine

C14H23BrN2O — CID 104653000

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)C1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C14H23BrN2O/c1-11(13-7-8-14(15)18-13)16-9-10-17(2)12-5-3-4-6-12/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKeySBRRPSNOKYNYDH-UHFFFAOYSA-N
MW315.25 g/mol
LogP3.57
Rot. Bonds6

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

N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 104653000) has the molecular formula C14H23BrN2O and a molecular weight of 315.25 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID104653000
Molecular FormulaC14H23BrN2O
Molecular Weight315.25 g/mol
Exact Mass314.10
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)C1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C14H23BrN2O/c1-11(13-7-8-14(15)18-13)16-9-10-17(2)12-5-3-4-6-12/h7-8,11-12,16H,3-6,9-10H2,1-2H3
InChIKeySBRRPSNOKYNYDH-UHFFFAOYSA-N
XLogP3.57
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 113437435
N'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698
2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 113437563
N'-cyclopentyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574004
N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314482
N-[1-(5-bromofuran-2-yl)ethyl]cyclobutanamine
CID 104652955
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314672
N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314707
N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine
CID 63314805
N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine
CID 104652736
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
N-[1-(5-bromofuran-2-yl)ethyl]but-3-yn-1-amine
CID 104653023

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 104653000) is N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine is CC(NCCN(C)C1CCCC1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is SBRRPSNOKYNYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-11(13-7-8-14(15)18-13)16-9-10-17(2)12-5-3-4-6-12/h7-8,11-12,16H,3-6,9-10H2,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-[1-(5-bromofuran-2-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine has a molecular weight of 315.25 g/mol, XLogP of 3.57, 6 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'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 104653000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).