(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine

C10H15Br2NS — CID 171215563

IUPAC(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NS/c1-6(2)3-4-8(13)9-5-7(11)10(12)14-9/h5-6,8H,3-4,13H2,1-2H3/t8-/m1/s1
InChIKeyGEHLKESDBGGEKE-MRVPVSSYSA-N
MW341.11 g/mol
LogP4.71
Rot. Bonds4

About (1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine

(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine (PubChem CID 171215563) has the molecular formula C10H15Br2NS and a molecular weight of 341.11 g/mol. Its IUPAC name is (1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
PubChem CID171215563
Molecular FormulaC10H15Br2NS
Molecular Weight341.11 g/mol
Exact Mass338.93
IUPAC Name(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NS/c1-6(2)3-4-8(13)9-5-7(11)10(12)14-9/h5-6,8H,3-4,13H2,1-2H3/t8-/m1/s1
InChIKeyGEHLKESDBGGEKE-MRVPVSSYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171215570
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
CID 105037154
(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
CID 171215559
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride
CID 171235193
6-amino-6-(4,5-dibromothiophen-2-yl)hexanoic acid
CID 80535411
ethyl 5-amino-5-(4,5-dibromothiophen-2-yl)-3-methylpentanoate
CID 80535552
1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130870793

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine (CID 171215563) is (1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine is CC(C)CC[C@@H](N)c1cc(Br)c(Br)s1.
What is the InChIKey of (1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine?
The InChIKey is GEHLKESDBGGEKE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15Br2NS/c1-6(2)3-4-8(13)9-5-7(11)10(12)14-9/h5-6,8H,3-4,13H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine?
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine has a molecular weight of 341.11 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 171215563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).