1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine

C10H13Br2NS — CID 105005773

IUPAC1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br2NS/c1-3-6(2)4-8(13)9-5-7(11)10(12)14-9/h5,8H,2-4,13H2,1H3
InChIKeyZBDLCDRMIHJRFM-UHFFFAOYSA-N
MW339.10 g/mol
LogP4.63
Rot. Bonds4

About 1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine

1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine (PubChem CID 105005773) has the molecular formula C10H13Br2NS and a molecular weight of 339.10 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine
PubChem CID105005773
Molecular FormulaC10H13Br2NS
Molecular Weight339.10 g/mol
Exact Mass336.91
IUPAC Name1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br2NS/c1-3-6(2)4-8(13)9-5-7(11)10(12)14-9/h5,8H,2-4,13H2,1H3
InChIKeyZBDLCDRMIHJRFM-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005769
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
(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
ethyl 5-amino-5-(4,5-dibromothiophen-2-yl)-3-methylpentanoate
CID 80535552
(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
CID 171215559
(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride
CID 171235193
1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 80533046

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine (CID 105005773) is 1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine is C=C(CC)CC(N)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine?
The InChIKey is ZBDLCDRMIHJRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NS/c1-3-6(2)4-8(13)9-5-7(11)10(12)14-9/h5,8H,2-4,13H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine?
1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine has a molecular weight of 339.10 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine is sourced from PubChem (CID 105005773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).